Publications

2016, 2015, 2014, 2013, 2012, 2011, 2010, 2009-2005, 2004-2000, 1999-1990, 1989-1980, 1979-1977


Publications 2017


423

Hand-Twisted Helical Crystal Based Solely on Hydrogen Bonding

Saha, S; Desiraju, GR

Chem. Commun., 2017, 53, 6371-6374. DOI: 10.1039/C7CC02970E


422

Exploring the Salt-cocrystal Continuum with Solid-state NMR Using Natural Abundance Samples: Implications for Crystal Engineering

Rajput, L; Banik, M; Yarava, JR; Joseph, S; Pandey, MK; Nishiyama, Y; Desiraju, GR

IUCrJ, 20174, 466-475. DOI: org/10.1107/S205225251700687X


421

Salts and Cocrystals of Antidiabetic Drugs, Gliclazide, Tolbutamide and Glipizide: Solubility Enhancements through Drug−Coformer Interactions

Samie, A; Desiraju, GR; Banik, M

Cryst. Growth Des., 2017, 17, 2406–2417. DOI: 10.1021/acs.cgd.6b01804


420

σ-hole and π-hole Synthon Mimicry in Third Generation Crystal Engineering. Design of Elastic Crystals

Saha, S; Desiraju, GR

Chem. Eur. J., 2017,  23, 4936−4943. DOI: 10.1002/chem.201700813


419

Crystal Engineering of Hand-Twisted Helical Crystals

Saha, S; Desiraju, GR

J. Am. Chem. Soc., 2017, 139, 1975−1983. DOI: 10.1021/jacs.6b11835


418

New Cocrystals of Hydrochlorothiazide: Optimizing Solubility and Membrane Diffusivity

Gopi, SP; Banik, M; Desiraju,GR

Cryst. Growth Des.,  2017, 17, 308–316. DOI: 10.1021/acs.cgd.6b01540


417

Looking at Aniline-Phenol Recognition in Molecular Crystals: An Evergreen Endeavour

Sood, A; Desiraju, GR

Struct Chem2017, 28, 173–199. DOI: 10.1007/s11224-016-0869-8

 


Publications 2016


416

A Drug–Drug Salt Hydrate of Norfloxacin and Sulfathiazole: Enhancement of in Vitro Biological Properties via Improved Physicochemical Properties

Gopi, SP; Ganguly, S; Desiraju, GR

Mol. Pharmaceutics, 201613, 3590–3594. DOI: 10.1021/acs.molpharmaceut.6b00320


415

Use of the Term “Crystal Engineering” in the Regulatory and Patent Literature of Pharmaceutical Solid Forms. Some Comments

Desiraju, GR; Nangia, A

Cryst. Growth Des., 2016, 16, 5585–5587. DOI: 10.1021/acs.cgd.6b01070


414

Cocrystal and Salt Forms of Furosemide: Solubility and Diffusion Variations

Banik, M; Gopi, SP; Ganguly, S; Desiraju GR

Cryst. Growth Des., 201616, 5418–5428. DOI: 10.1021/acs.cgd.6b00902


413

Using Structural Modularity in Cocrystals to Engineer Properties: Elasticity

Saha, S; Desiraju, GR

Chem. Commun., 2016, 52, 7676-7679. DOI: 10.1039/C6CC03226E


412

Mechanical Property Design of Molecular Solids

Mishra, MK; Ramamurty, U; Desiraju, GR

Curr. Opin. Solid State Mater. Sci., 2016. DOI: org/10.1016/j.cossms.2016.05.011


411

New Multi-Component Solid Forms of an Anti-Cancer Drug Erlotinib: Role of Auxiliary Interactions in Determining a Preferred Conformation

Sanphui, P; Rajput, L; Gopi, SP; Desiraju, GR

Acta Crystallogr., Sect. B, 2016, 72, 291-300. DOI:10.1107/S2052520616003607


410

Four- and Five-Component Molecular Solids: Crystal Engineering Strategies Based on Structural Inequivalence

Mir, NA; Dubey, R.; Desiraju, GR

IUCrJ, 2016, 3, 96-101. DOI:10.1107/S2052252515023945


409

Quaternary Cocrystals: Combinatorial Synthetic Strategies Based on Long-Range Synthon Aufbau Modules (LSAM)

Dubey, R.; Mir, NA; Desiraju, GR

IUCrJ, 2016, 3, 102-107. DOI:10.1107/S2052252515023957

 


Publications 2015


408

Combinatorial Crystal Synthesis of Ternary Solids Based on 2-Methylresorcinol

Mir, NA; Dubey, R; Tothadi, S; Desiraju, GR

CrystEngComm, 2015, 17, 7866-7869. DOI: 10.1039/C5CE01280E


407

Crystal Chemistry and Photomechanical Behavior of 3,4-Dimethoxycinnamic Acid: Correlation Between Maximum Yield in the Solid State Topochemical Reaction and Cooperative Molecular Motion

Mishra, MK; Mukherjee, A.; Ramamurty, U; Desiraju, GR

IUCrJ, 2015, 2, 653-660. DOI:10.1107/S2052252515017297

Scientific Commentaries by Ian D. Williams, 2015, 2, 607-608. DOI:10.1107/S2052252515019922


406

Crystal Structure and Prediction

Thakur, TS; Dubey, R.; Desiraju, GR

Ann. Rev. Phys. Chem., 2015, 66, 21-42. DOI:10.1146/annurev-physchem-040214-121452


405

Exploring the Crystal Structure Landscape with a Heterosynthon Module: Fluorobenzoic Acid:1,2-Bis(4-pyridyl)ethylene 2:1 Cocrystals

Dubey, R.; Desiraju, GR

Cryst. Growth Des., 2015, 15, 489-496. DOI:10.1021/cg501553m


404

Combinatorial Selection of Molecular Conformations and Supramolecular Synthons in Quercetin Cocrystal Landscapes: A Route to Ternary Solids

Dubey, R.; Desiraju, GR

IUCrJ, 2015, 2, 402-408. DOI:10.1107/S2052252515009884


403

Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline

Ghosh, S; Mishra, MK; Ganguly, S; Desiraju, GR

J. Am. Chem. Soc., 2015, 137, 9912-9921. DOI: 10.1021/jacs.5b05324


402

Bimodal Nanoindentation Response of the (001) Face in Crystalline Sodium Saccharin Dihydrate

Mishra, MK; Ramamurty, U; Desiraju, GR

Maced. J. Chem. Chem. Eng., 2015, 34, 51-55. Web Link


401

Hardness Alternation in α,ω-Alkanedicarboxylic Acids

Mishra, MK; Ramamurty, U; Desiraju, GR

Chem. Asian J. 2015, (Just Accepted). DOI: 10.1002/asia.201500322

Spotlights on Angew. Chem. Int. Ed. 32/2015 Web Link

Spotlights on Chem. Eur. J. 34/2015 Web Link

Spotlights on ChemPlusChem 8/2015 Web Link

Spotlights on ChemBioChem 12/2015 Web Link


400

Cocrystals of Hydrochlorothiazide: Solubility and Diffusion/Permeability Enhancements through Drug-Coformer Interactions

Sanphui, P; Devi, VK; Clara, D.; Malviya, N.; Ganguly, S; Desiraju, GR

Mol. Pharmaceutics, 2015, 12, 1615-1622. DOI: 10.1021/acs.molpharmaceut.5b00020


399

Intermolecular Atom–Atom Bonds in Crystals – A Chemical Perspective

Thakur, TS; Dubey, R; Desiraju, GR

IUCrJ, 2015, 2, 159-160. DOI: 10.1107/S205225251500189X


398

Solid Solution Hardening of Molecular Crystals: Tautomeric Polymorphs of Omeprazole

Mishra, MK; Ramamurty, U; Desiraju, GR

J. Am. Chem. Soc., 2015, 137, 1794. DOI: 10.1021/ja512817f

Featured in JACS spotlight! Web Link


397

Tuning Mechanical Properties of Pharmaceutical Crystals with Multicomponent Crystals: Voriconazole as a Case Study

Sanphui, P; Mishra, MK; Ramamurty, U; Desiraju, GR

Mol. Pharmaceutics, 2015, 12, 889-897. DOI: 10.1021/mp500719t


396

Designing Elastic Organic Crystals: Highly Flexible Polyhalogenated N-Benzylideneanilines

Ghosh, S; Mishra, MK; Kadambi, SB; Ramamurty, U; Desiraju, GR

Angew. Chem., Int. Ed., 2015, 127, 2712-2716. DOI: 10.1002/ange.201410730


395

IR Spectroscopy as a Probe for C–H•••X Hydrogen Bonded Supramolecular Synthons

Saha, S; Rajput, L; Joseph, S; Mishra, MK; Ganguly, S; Desiraju, GR

CrystEngComm 2015, 17, 1273-1290. DOI: 10.1039/c4ce02034k

images


Publications 2014


394

Graded IR Filters: Distinguishing Between Single and Multipoint NO2···I Halogen Bonded Supramolecular Synthons (P, Q, and R Synthons)

Saha, S; Ganguly, S; Desiraju, GR

Aust. J. Chem. 2014, 67, 1840–1848. DOI:10.1071/CH14361


393

Studying Microstructure in Molecular Crystals With Nanoindentation: Intergrowth Polymorphism in Felodipine

Mishra, MK; P; Ramamurty, U; Desiraju, GR; Bond, AD

Angew. Chem., Int. Ed. 2014, 53, 13102−13105. DOI:10.1002/anie.201406898.


392

Combinatorial Crystal Synthesis: Structural Landscape of Phloroglucinol:1,2-bis(4-pyridyl)ethylene and Phloroglucinol:Phenazine

Dubey, R; Desiraju, GR

Angew. Chem., Int. Ed. 2014, 53, 13178−13182. DOI: 10.1002/anie.201402668


391

Obtaining Synthon Modularity in Ternary Cocrystals with Hydrogen Bonds and Halogen Bonds

Tothadi, S; Sanphui, P; Desiraju, GR

Cryst. Growth Des. 2014, 14, 5293−5302. DOI:10.1021/cg501115k


390

Halogen Bonds in Crystal Engineering: Like Hydrogen Bonds yet Different

Mukherjee, A; Tothadi, S; Desiraju, GR

Acc. Chem. Res. 2014, 47, 2514−2524. DOI: 10.1021/ar5001555


389

Aniline-phenol recognition: from solution through supramolecular synthons to cocrystals

Mukherjee, A; Dixit, K; Sarma, SP; Desiraju, GR

IUCrJ 2014, 1, 228-239. DOI:10.1107/S2052252514012081


388

Crystal landscape in the orcinol:4,4′-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters

Dubey, R; Pavan, MS; Guru Row TN; Desiraju, GR

IUCrJ 2014, 1, 8-18 DOI:10.1107/S2052252513024421


387

Halogen bonds in some dihalogenated phenols: applications to crystal engineering

Mukherjee, A; Desiraju, GR

IUCrJ 2014, 1, 49-60. DOI:10.1107/S2052252513025657


386

Solubility-Hardness Correlation in Molecular Crystals: Curcumin and Sulfathiazole Polymorphs

Mishra, MK; Sanphui, P; Ramamurty, U; Desiraju, GR

Cryst. Growth Des. 2014, 14, 3054-3061. DOI:10.1021/cg5001749


385

Designing Ternary Co-crystals with Stacking Interactions and Weak Hydrogen Bonds. 4,4 ‘-Bis-hydroxyazobenzene

Chakraborty, S; Rajput, L; Desiraju, GR

Cryst. Growth Des. 2014, 14, 2571-2577. DOI: 10.1021/cg500263g


384

Year of Crystallography

Desiraju, GR

Chemistry & Industry 2014, 78, 28-28, DOI: 10.1002/cind.784_6.x


383

Crystallography and Geopolitics

Desiraju, GR

Science 2014, 343, 1057-1057. DOI: 10.1126/science.1252187.


382

Combinatorial Exploration of the Structural Landscape of Acid-Pyridine Cocrystals

Mukherjee, A; Desiraju, GR

Cryst. Growth Des. 2014, 14, 1375-1385 DOI: 10.1021/cg401851z


381

Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine

Chakraborty, S; Ganguly, S; Desiraju, GR

CrystEngComm 2014, 16, 4732-4741. DOI: 10.1039/C3CE42156B 380


380

Some Themes in Chemical Crystallography Pertinent to the Indian Contribution

Desiraju, GR

Journal of the Indian Institute of Science 2014, 94, 1-8


379

Structural landscape of the 1: 1 benzoic acid : isonicotinamide cocrystal

Dubey, R; Desiraju, GR

Chem. Commun. 2014, 50, 1181-1184. DOI: 10.1039/C3CC47955B

images


Publications 2013


378

A Current Science journal without Balaram?

Desiraju, GR.

Current Science 2013, 105, 430-430.


377

Salt and cocrystals of sildenafil with dicarboxylic acids: Solubility and pharmacokinetic advantage of the glutarate salt

Sanphui, P; Tothadi, S; Ganguly, S; Desiraju, GR.

Mol. Pharmaceutics 2013, 10, 4687-4697. DOI: 10.1021/mp400516b


376

Designing ternary cocrystals with hydrogen bonds and halogen bonds

Tothadi, S, Desiraju, GR.

Chem. Commun. 2013, 49, 7791-7793. DOI: 10.1039/C3CC43822H.


375

Definition of the halogen bond (IUPAC recommendations 2013)

Desiraju, GR; Shing Ho, P; Kloo, L; Legon, AC; Marquardt, R; Metrangolo, P; Politzer, P; Resnati, G; Rissanen K

Pure Appl. Chem. 2013, 85, 1711-1713. DOI: 10.1351/PAC-REC-12-05-10


374

New solid forms of the anti-HIV drug etravirine: Salts, cocrystals, and solubility

Rajput, L; Sanphui, P; Desiraju, GR

Cryst. Growth Des. 2013, 13, 3681-3690. DOI: 10.1021/cg4007058


373

Crystal engineering: From molecule to crystal

Desiraju, GR

J. Am. Chem. Soc. 2013, 135, 9952-9967. DOI: 10.1021/ja403264c


372

Synthon modularity in cocrystals of 4-bromobenzamide with n-alkanedicarboxylic acids: Type I and type II halogen⋯halogen interactions

Tothadi, S; Joseph, S; Desiraju, GR

Cryst. Growth Des. 2013, 13, 3242-3254. DOI: 10.1021/cg400735f


371

Odd–Even effect in the elastic modulii of α,ω-alkanedicarboxylic acids

Mishra, MK; Varughese, S; Ramamurty, U; Desiraju, GR

J. Am. Chem. Soc. 2013, 135, 8121-8124. DOI: 10.1021/ja402290h


370

Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study

Mukherjee, A; Tothadi, S; Chakraborty, S; Ganguly, S; Desiraju, GR

CrystEngComm 2013, 15, 4640-4654. DOI: 10.1039/C3CE40286J.


369

Editorial: Aggregation of small molecules: From dimers to crystals

Desiraju, GR; Johnson, MA; Sander, W

Chem. Phys. Chem. 2013, 14, 631-633. DOI: 10.1002/cphc.201200980


368

Nanoindentation in crystal engineering: Quantifying mechanical properties of molecular crystals

Varughese, S; Kiran, MSRN; Ramamurty, U; Desiraju, GR

Angew. Chem., Int. Ed. 2013, 52, 2701-2712. DOI: 10.1002/anie.201205002


367

Chemistry in India: Unlocking the potential

Arunan, E; Brakaspathy, R; Desiraju, GR; Sivaram, S

Angew. Chem., Int. Ed. 2013, 52, 114-117. DOI: 10.1002/anie.201206960

images


Publications 2012


366

International Year of Crystallography, 2014

Desiraju, GR

Sci. China Chem.2012, 55, 2242-2243.DOI:10.1007/s11426-012-4750-3


365

Synthon modularity in 4-hydroxybenzamide-dicarboxylic acid cocrystals

Tothadi, S; Desiraju, GR

Cryst. Growth Des.2012, 12, 6188-6198.DOI:10.1021/cg3013766


364

From the president of the international union of crystallography

Desiraju, GR

Cryst. Growth Des.2012, 12, 4687.DOI:10.1021/cg301213d


363

Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor

Grobelny, P; Mukherjee, A; Desiraju, GR

CrystEngComm 2012, 14, 5785-5794.DOI:10.1039/C2CE06604A.


362

Structural landscape of benzoic acid: Using experimental crystal structures of fluorobenzoic acids as a probe

Dubey, R; Pavan, MS; Desiraju, GR

Chem. Commun. 2012, 48, 9020-9022.DOI:10.1039/C2CC33811D


361

Nanoindentation as a probe for mechanically-induced molecular migration in layered organic donor-acceptor complexes

Varughese, S; Kiran, MSRN; Ramamurty, U;Desiraju, GR

Chem. Asian J. 2012, 7, 2118-2125.DOI:10.1002/asia.201200224.


360

4-hydroxybenzamide 1,4-dioxane hemisolvate

Tothadi, S; Desiraju, GR

Acta Crystallogr., Sect. E, 2012, 68, o2661.DOI:10.1107/S160053681203437X


359

Unusual co-crystal of isonicotinamide: The structural landscape in crystal engineering

Tothadi, S; Desiraju, GR

Phil. Trans. R. Soc. A 2012, 370, 2900-2915.DOI:10.1098/rsta.2011.0309.


358

Polymorphs, salts, and cocrystals: What’s in a name?

Aitipamula, S; Banerjee, R; Bansal, AK; Biradha, K; Cheney, ML; Choudhury, AR; Desiraju, GR; Dikundwar, AG; Dubey, R; Duggirala, N; Ghogale, PP; Ghosh, S; Goswami, PK; Goud, NR; Jetti, KRK; Karpinski, P; Kaushik, P; Kumar, D; Kumar, V; Moulton, B; Mukherjee, A; Mukherjee, G; Myerson,AS; Puri, V; Ramanan,A; Rajamannar, T; Reddy, CM; Rodriguez-Hornedo, N; Rogers, RD; Row TNG; Sanphui, P; Shan, N; Shete, G; Singh, A; Sun, CC; Swift, JA; Thaimattam, R; Thakur, TS; Kumar Thaper, R; Thomas, SP; Tothadi, S; Vangala, VR; Variankaval, N; Vishweshwar, P; Weyna, DR; Zaworotko, MJ

Cryst. Growth Des.2012, 12, 2147-2152.DOI:10.1021/cg3002948


357

Policy: Bold strategies for Indian science

Desiraju, GR

Nature 2012, 484, 159-160.DOI:10.1038/484159a


356

Triclabendazole: An intriguing case of co-existence of conformational and tautomeric polymorphism

Tothadi, S; Bhogala, BR; Gorantla, AR; Thakur, TS; Jetti, RKR; Desiraju, GR

Chem. Asian J. 2012, 7, 330-342.DOI:10.1002/asia.201100638


355

Effect of dehydration on the mechanical properties of sodium saccharin dihydrate probed with nanoindentation

Kiran, MSRN; Varughese, S; Ramamurty, U; Desiraju, GR

CrystEngComm 2012, 14, 2489-2493.DOI:10.1039/c1ce05656e

images


Publications 2011


354

Phenylboronic acids in crystal engineering: Utility of the energetically unfavorable syn,syn-conformation in co-crystal design

Varughese, S; Sinha, SB; Desiraju, GR

Sci. China Chem. 2011, 54, 1909-1919.DOI:10.1007/s11426-011-4412-x


353

Crystal packing and melting temperatures of small oxalate esters: the role of C-H…O hydrogen bonding

Joseph, S; Sathishkumar, R; Mahapatra, S; Desiraju, GR

Acta Crystallogr., Sect. B 2011, 67, 525-534.DOI:10.1107/S0108768111037487


352

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

Bardwell, DA; Adjiman, CS; Arnautova, YA; Bartashevich, E; Boerrigter, SXM; Braun, DE;

Cruz-Cabeza, AJ; Day, GM; Della Valle, RG; Desiraju, GR; van Eijck, BP; Facelli, JC; Ferraro, MB; Grillo, D; Habgood, M; Hofmann, DWM; Hofmann, F; Jose, KVJ; Karamertzanis, PG; Kazantsev, AV; Kendrick, J; Kuleshova, LN; Leusen, FJJ; Maleev, AV; Misquitta, AJ; Mohamed, S; Needs, RJ; Neumann, MA; Nikylov, D; Orendt, AM; Pal, R; Pantelides, CC; Pickard, CJ; Price, LS; Price, SL; Scheraga, HA; van de Streek, J; Thakur, TS; Tiwari, S; Venuti, E; Zhitkov, IK

Acta Crystallogr., Sect. B 2011, 67, 535-551.DOI:10.1107/S0108768111042868


351

Extending the Supramolecular Synthon Based Fragment Approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: Importance of C-H…O, C-H…F, and F…F intermolecular regions

Hathwar, VR; Thakur, TS; Dubey, R; Pavan, MS; Row, TNG; Desiraju, GR

J. Phys. Chem A 2011, 115, 12852-12863.DOI:10.1021/jp2039866


350

Weak C-H…O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde

Kirchner, MT; Blaser, D; Boese, R; Thakur, TS; Desiraju, GR

Acta Crystallogr., Sect. C 2011, 67, O387-O390.DOI:10.11


349

Halogen bonding and structural modularity in 2,3,4-and 3,4,5-trichlorophenol

Mukherjee, A; Desiraju, GR

Cryst. Growth Des. 2011, 11, 3735-3739.DOI:10.1021/cg2007815


348

Structural variability in the monofluoroethynylbenzenes mediated through interactions involving “organic” fluorine

Dikundwar, AG; Sathishkumar, R; Row, TNG; Desiraju, GR

Cryst. Growth Des. 2011, 11, 3954-3963.DOI:10.1021/cg2005453


347

Virtual special issue on structural chemistry in India: emerging themes

Desiraju, GR

Cryst. Growth Des. 2011, 11, 2661-2661DOI:10.1021/cg200570n


346

Drug-drug co-crystals: Temperature-dependent proton mobility in the molecular complex of isoniazid with 4-aminosalicylic acid

Grobelny, P; Mukherjee, A; Desiraju, GR

CrystEngComm 2011, 13, 4358-4364.DOI:10.1039/c0ce00842g


345

Polymorphs, pseudopolymorphs, and co-crystals of orcinol: Exploring the structural landscape with high throughput crystallography

Mukherjee, A; Grobelny, P; Thakur, TS; Desiraju, GR

Cryst. Growth Des. 2011, 11, 2637-2653.DOI:10.1021/cg200361x


344

h-index: is it necessary?

Desiraju, GR

Curr. Sci. 2011, 100, 959-959.


343

Reflections on the hydrogen bond in crystal engineering

Desiraju, GR

Cryst. Growth Des. 2011, 11, 896-898.DOI:10.1021/cg200100m


342

Ttransferability of multipole charge density parameters for supramolecular synthons: A new tool for quantitative crystal engineering

Hathwar, VR; Thakur, TS; Row, TNG; Desiraju, GR

Cryst. Growth Des. 2011, 11, 616-623.DOI:10.1021/cg101540y


341

Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering

Tothadi, S; Mukherjee, A; Desiraju, GR

Chem. Commun. 2011, 47, 12080-12082.DOI:10.1039/c1cc14567c


340

Title: Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation

Varughese, S; Kiran, MSRN; Solanko, KA; Bond, AD; Ramamurty, U; Desiraju, GR

Chem. Sci. 2011, 2, 2236-2242.DOI:10.1039/c1sc00430a


339

Nature and strength of C -H…O interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes

Thakur, TS; Kirchner, MT; Blaser, D; Boese, R; Desiraju, GR

PhysChemChemPhys 2011, 13, 14076-14091.DOI:10.1039/c0cp02236e


338

Synthon polymorphism and pseudopolymorphism in co-crystals. The 4,4 ‘-bipyridine-4-hydroxybenzoic acid structural landscape

Mukherjee, A; Desiraju, GR

Chem. Commun. 2011, 47, 4090-4092.DOI:10.1039/c0cc05857b


337

A bond by any other name

Desiraju, GR

Angew. Chem., Int. Ed. 2011, 50, 52-59.DOI:10.1002/anie.201002960


336

Defining the hydrogen bond: An account (IUPAC technical report)

Arunan, E; Desiraju, GR; Klein, RA; Sadlej, J; Scheiner, S; Alkorta, I; Clary, DC; Crabtree, RH; Dannenberg, JJ; Hobza, P; Kjaergaard, HG; Legon, AC; Mennucci, B; Nesbitt, DJ

Pure App. Chem. 2011, 83, 1619-1636.DOI:10.1351/PAC-REP-10-01-01


335

Definition of the hydrogen bond (IUPAC recommendations 2011)

Arunan, E; Desiraju, GR; Klein, RA; Sadlej, J; Scheiner, S; Alkorta, I; Clary, DC; Crabtree, RH; Dannenberg, JJ; Hobza, P; Kjaergaard, HG; Legon, AC; Mennucci, B; Nesbitt, DJ

Pure App. Chem. 2011, 83, 1637-1641.DOI:10.1351/PAC-REC-10-01-02


334

Science in a changing world

Desiraju, GR

Angew. Chem., Int. Ed. 2011, 50, 5590-5591.DOI:10.1002/anie.201102495

images


Publications 2010


333

Dimorphism and structural modulation in quinoxaline Sathishkumar

R; Mahapatra, S; Thakur, TS; Desiraju, GR

Curr. Sci. 2010, 99, 1807-1811.


332

The case, once more, for a united academy of sciences of India

Desiraju, GR

Curr. Sci. 2010, 99, 1510-1512


331

Old toddy in new bottles

Desiraju, GR

Curr. Sci. 2010, 99, 1160-1160


330

Quinoxaline: Z ‘=1 form

Ranganathan, S; Mahapatra, S; Thakur, TS; Desiraju, GR

Acta Crystallogr., Sect. E 2010, 66, O2789-U2340.DOI:10.1107/S1600536810039905


329

Third polymorph of phenylacetylene

Thakur, TS; Sathiskumar, R; Dikundwar, AG; Row, TNG; Desiraju, GR

Cryst. Growth Des. 2010, 10, 4246-4249DOI:10.1021/cg101076k


328

Mechanical anisotropy in crystalline saccharin: Nanoindentation studies

Kiran, MSRN; Varughese, S; Reddy, CM; Ramamurty, U; Desiraju, GR

Cryst. Growth Des. 2010, 10, 4650-4655DOI:10.1021/cg1009362


327

Molecular complexes of alprazolam with carboxylic acids, boric acid, boronic acids, and phenols. Evaluation of supramolecular heterosynthons mediated by a triazole ring

Varughese, S; Azim, Y; Desiraju, GR

J. Pharm. Sci. 2010, 99, 3743-3753.DOI:10.1002/jps.22117


326

Crystal engineering: A brief overview

Desiraju, GR

J. Chem. Sci. 2010, 122, 667-675.


325

Using water as a design element in crystal engineering. Host-guest compounds of hydrated 3,5-dihydroxybenzoic acid

Varughese, S; Desiraju, GR

Cryst. Growth Des. 2010, 10, 4184-4196DOI:10.1021/cg100872w


324

Molecular and crystal structure of 4-ethynylcyanobenzene. An example of C–H…N hydrogen bonding

Mahapatra, S; Azim, Y; Desiraju, GR

J. Mol. Struct. 2010, 976, 200-204.DOI:10.1016/j.molstruc.2010.02.047


323

New solid state forms of the anti-HIV drug efavirenz. conformational flexibility and high Z’ issues

Mahapatra, S; Thakur, TS; Joseph, S; Varughese, S; Desiraju, GR

Cryst. Growth Des. 2010, 10, 3191-3202.DOI:10.1021/cg100342k


322

N–H…O and C–H…O interaction mimicry in the 1:1 molecular complexes of 5,5-diethylbarbituric acid with urea and acetamide

Thakur, TS; Azim, Y; Srinu, T; Desiraju, GR

Curr. Sci. 2010, 98, 793-802.


321

C–H…F–C hydrogen bonding in 1,2,3,5-tetrafluorobenzene and other fluoroaromatic compounds and the crystal structure of alloxan revisited

Thakur, TS; Kirchner, MT; Blaser, D; Boese, R; Desiraju, GR

CrystEngComm 2010, 12, 2079-2085.DOI:10.1039/b925082d


320

Long-range synthon Aufbau modules (LSAM) in crystal structures: systematic changes in C6H6-nFn (0 ≤ n ≤ 6) fluorobenzenes

Ganguly, P; Desiraju, GR

CrystEngComm 2010, 12, 817-833.DOI:10.1039/b910915c

images


Publications 2009 – 2005


319

1,3-Difluorobenzene

Kirchner, MT; Blaser, D; Boese, R; Thakur, TS; Desiraju, GR

Acta Crystallogr., Sect. E 2009, 65, O2668-O2669.DOI:10.1107/S1600536809038987


318

1,2,3-Trifluorobenzene

Kirchner, MT; Blaser, D; Boese, R; Thakur, TS; Desiraju, GR

Acta Crystallogr. Sect. E 2009, 65, O2670.DOI:10.1107/S1600536809038975


317

Structure-based design of DevR inhibitor active against nonreplicating mycobacterium tuberculosis

Gupta, RK; Thakur, TS; Desiraju, GR; Tyagi, JS

J. Med. Chem.2009, 52, 6324-6334.DOI:10.1021/jm900358q


316

Worship of mammon Desiraju, GR

Curr. Sci. 2009, 97, 980-980.


315

Crystal engineering: Structure, design and function

Desiraju, GR

Curr. Opin. Solid State Mater. Sci.2009, 13, 35.DOI:10.1016/j.cossms.2009.07.001


314

Significant progress in predicting the crystal structures of small organic molecules – A report on the fourth blind test

Day, GM; Cooper, TG; Cruz-Cabeza, AJ; Hejczyk, KE; Ammon, HL; Boerrigter, SXM; Tan, JS; Della Valle, RG; Venuti, E; Jose, J; Gadre, SR; Desiraju, GR; Thakur, TS; van Eijck, BP; Facelli, JC; Bazterra, VE; Ferraro, MB; Hofmann, DWM; Neumann, MA; Leusen, FJJ; Kendrick, J; Price, SL; Misquitta, AJ; Karamertzanis, PG; Welch, GWA; Scheraga, HA; Arnautova, YA; Schmidt, MU; van de Streek, J; Wolf, AK; Schweizer, B

Acta Crystallogr. Sect. B 2009, 65, 107-125. DOI:10.1107/S0108768109004066


313

Co-crystals of the anti-HIV drugs Lamivudine and Zidovudine

Bhatt, PM; Azim, Y; Thakur, TS; Desiraju, GR

Cryst. Growth Des. 2009, 9, 951-957. DOI:10.1021/cg8007359


312

The nature of halogen···halogen interactions: A model derived from experimental charge-density analysis

Bui, TTT; Dahaoui, S; Lecomte, C; Desiraju, GR; Espinosa, E

Angew. Chem., Int. Ed. 2009, 48, 3838-3841. DOI:10.1002/anie.200805739


311

Additive induced polymorphism. The pentafluorophenol-pentafluoroaniline system

Kirchner, MT; Blaser, D; Boese, R; Desiraju, GR

CrystEngComm 2009, 11, 229-231. DOI:10.1039/b810088h


310

Crystal Structure Prediction of a Co-Crystal Using a Supramolecular Synthon Approach: 2-Methylbenzoic Acid-2-Amino-4-methylpyrimidine

Thakur, TS; Desiraju, GR

Cryst. Growth Des. 2008, 8, 4031-4044.DOI:10.1021/cg800371j


309

Faculty positions in scientific/academic institutions and citizenship issues

Desiraju, GR

Curr. Sci.2008, 94, 839-839.


308

Polymorphism: The same and not quite the same

Desiraju, GR

Cryst. Growth Des. 2008, 8, 3-5.DOI:10.1021/cg701000q


307

Van der Waals and polar intermolecular contact distances: Quantifying supramolecular synthons

Ganguly, P; Desiraju, GR

Chem. Asian J. 2012, 3, 868-880.DOI:10.1002/asia.200700343


306

Co-crystal formation and the determination of absolute configuration

Bhatt, PM; Desiraju, GR

CrystEngComm 2008, 10, 1747-1749.DOI:10.1039/b810643f


305

Crystal structure of Na4Li4(saccharinate)8·14H2O and its comparison with other alkali metal saccharinates

Bhatt, PM; Desiraju, GR

J. Mol. Struct. 2008, 871, 73-79.DOI:10.1016/j.molstruc.2007.01.063


304

Insights into ligand selectivity in nitric oxide synthase isoforms: A molecular dynamics study

Aparna, V; Desiraju, GR; Gopalakrishnan, B

J. Mol. Graph. Model.,2007, 26, 457-470DOI:10.1016/j.jmgm.2007.02.003


303

Probing misconduct

Desiraju, GR

Curr. Sci. 2007, 93, 122-122


302

Strong and weak hydrogen bonds in drug-DNA complexes: A statistical analysis

Panigrahi, SK; Desiraju, GR

J. Biosci., 2007, 32, 677-691.DOI:10.1007/s12038-007-0068-2


301

Theoretical investigation of C–H···M interactions in organometallic complexes: A natural bond orbital (NBO) study

Thakur, TS; Desiraju, GR

J. Mol. Struct., Theochem 2007,810, 143-154.DOI:10.1016/j.theochem.2007.02.012


300

Strong and weak hydrogen bonds in the protein-ligand interface

Panigrahi, SK; Desiraju, GR

Prot. Struct. Funct. Bioinf. 2007, 67, 128-141.DOI:10.1002/prot.21253


299

Weak hydrogen bonds: From crystal engineering to virtual screening

Desiraju, GR

Abstr. Papers Am. Chem. Soc.,2007,233, 151-151


298

5,5-dibenzylbarbituric acid monohydrate

Bhatt, PM; Desiraju, GR

Acta Crystallogr., Sect. E2007,63, O771- O772.DOI:10.1107/S1600536806056546


297

Hexaiodobenzene: a redetermination at 100 K

Ghosh, S; Reddy, CM; Desiraju, GR

Acta Crystallogr., Sect. E2007,63, O910- O911.DOI:10.1107/S1600536807002279


296

BioSuite: A comprehensive bioinformatics software package (A unique industry-academia collaboration)

Vidyasagar, M; Mande, S; Rajgopal, S; Gopalkrishnan, B; Srinivas, STPT; Rao, CUM; Kathiravan, T; Mastanarao, K; Narendranath, S; Rohini, S; Irshad, A; Murali, T; Subrahmanyam, C; Mona, T; Sankha, S; Priya, V; Suman, D; Rao, VVR; Rao, PN; Issaac, R; Yashodeep, H; Arundhoti, B; Nishant, G; Jignesh, S; Chaitanya, KS; Reddy, SPVP; Chakraborty, P; Hasnain, SE; Mande, S; Nagarajaram, A; Ranjan, A; Acharya, MS; Anwaruddin, M; Arun, SK; Gyanrajkumar; Kumar, D; Priya, S; Ranjan, S; Reddi, BR; Seshadri, J; Kumar, PS; Swaminathan, S; Umadevi, P; Vindal, V; Vijaykrishnan, S; Saxena, AK; Dixit, A; Prathipati, P; Kashaw, SK; Mandal, C; Bag, S; Balakrishnan, N; Bansal, M; Chandra, NR; Murthy, MRN; Ramakumar, S; Sekar, K; Srinivasan, N; Suguna, K; Vishveshwara, S; Bhadra, RA; Das, S; Hansia, P; Hariharaputran, S; Jeyakani, J; Karthikeyan, R; Pandey, RK; Swamy, CS; Vasanthakumar, B; Balaji, PV; Patel, RY; Jayaram, B; Shaikh, SA; Chakrabarti, PP; Banerjee, A; Chakrabarti, A; Karandikar, RL; Chaudhuri, P; Raghava, GPS; Ghosh, A; Bansal, M; Paramsivam, N; Brahmachari, SK; Dash, D; Balasubramaniam, C; Basu, A; Biswas, P; Hariharan, M; Mathur, R; Sandhu, KS; Scaria, V; Shankar, R; Narayanan, PJ; Jain, V; Krishnaswamy, S; Alaguraj, V; Marikkannu, R; Katta, AVSKM; Krishnan, N; Srividhya, KV; Eswari, PJ; Bharatam, PV; Iqbal, P; Bhattacharyya, D; Desiraju, GR; Kumar, JJ; Ravikumar, M; Gautham, M; Prasad, PA; Bharanidharan, D

Curr. Sci.2007, 92, 29-38.


295

On the presence of multiple molecules in the crystal asymmetric unit (Z ‘ > 1)

Desiraju, GR

CrystEngComm,2007, 9, 91-92.DOI:10.1039/b614933b


294

On the polymorphism of aspirin Bond

AD; Boese, R; Desiraju, GR

Angew. Chem., Int. Ed.2007,46, 615-617.DOI:10.1002/anie.200602378


293

On the polymorphism of aspirin: Crystalline aspirin as intergrowths of two “polymorphic” domains

Bond, AD; Boese, R; Desiraju, GR

Angew. Chem., Int. Ed.2007,46, 618-622.DOI:10.1002/anie.200603373


292

Crystal engineering: A holistic view

Desiraju, GR

Angew. Chem., Int. Ed.2007,46, 8342-8356.DOI:10.1002/anie.200700534


291

Umbraculolide E, a new briarane diterpenoid from the gorgonian Gorgonella umbraculum Anjaneyulu

ASR; Rao, VL; Sastry, VG; Rao, DV; Laatsch, H

Natural Prod. Commun.2007,2, 131-134.


290

Tautomeric polymorphism in omeprazole

Bhatt, PM; Desiraju, GR

Chem. Commun.2007,2057-2059.DOI:10.1039/b700506g


289

Structure-property correlations in bending and brittle organic crystals

Reddy, CM; Padmanabhan, KA; Desiraju, GR

Cryst. Growth Des. 2006, 6, 2720-2731.DOI:10.1021/cg060398w


288

Crystallographic studies of supramolecular synthons in amine solvates of trans-1,5-dichloro-9,10-diethynyl-9,10-dihydroanthracene-9,10-diol

Mondal, R; Howard, JAK; Banerjee, R; Desiraju, GR

Cryst. Growth Des. 2006, 6, 2507-2516.DOI:10.1021/cg060258m


287

An idealist view of life

Desiraju, GR

Nature,2006, 443, 398-398.DOI:10.1038/443398a


286

Ligand coordinate analysis of SC-558 from the active site to the surface of COX-2: A molecular dynamics study

Ram, KVVMS; Rambabu, G; Sarma, JARP; Desiraju, GR

J. Chem. Inform. Model.2006,46, 1784-1794.DOI:10.1021/ci050142i


285

Packing modes in some mono- and disubstituted phenylpropiolic acids: Repeated occurrence of the rare syn,anti catemer

Das, D; Desiraju, GR

Chem. Asian J.,2006, 1, 231-244.DOI:10.1002/asia.200600046


284

Solid-state architecture of saccharin salts of some diamines

Banerjee, R; Saha, BK; Desiraju, GR

Acta Crystallogr., Sect. C,2006,62, O346-O349.DOI:10.1107/S0108270106016374


283

Form I of desloratadine, a tricyclic antihistamine

Bhatt, PM; Desiraju, GR

Acta Crystallogr., Sect. C,2006,62, O362-O363.DOI:10.1107/S0108270106012571


282

A 1 : 1 molecular complex of 4-methylpyridine N-oxide and saccharin

Saha, BK; Banerjee, R; Nangia, A; Desiraju, GR

Acta Crystallogr., Sect. C,2006, 62, O2283-O2284.


281

Solvates of sildenafil saccharinate. A new host material

Banerjee, R; Bhatt, PM; Desiraju, GR

Cryst. Growth Des. 2006, 6, 1468-1478.DOI:10.1021/cg0601150


280

Synthon robustness and solid-state architecture in substituted gem-alkynols

Banerjee, R; Mondal, R; Howard, JAK; Desiraju, GR

Cryst. Growth Des.,2006, 6, 999-1009DOI:10.1021/cg050598s


279

Isostructurality, polymorphism and mechanical properties of some hexahalogenated benzenes: The nature of halogen…halogen interactions

Reddy, CM; Kirchner, MT; Gundakaram, RC; Padmanabhan, KA; Desiraju, GR

Chem. Eur. J. 2006, 12, 2222-2234.DOI:10.1002/chem.200500983


278

3D-QSAR studies on antitubercular thymidine monophosphate kinase inhibitors based on different alignment methods

Aparna, V; Jeevan, J; Ravi, M; Desiraju, GR; Gopalakrishnan, B

Bioorg. Med. Chem. Lett. 2006, 16, 1014-1020.DOI:10.1016/j.bmcl.2005.10.086


277

Misassigned C–H···Cu agostic interaction in a copper(II) ephedrine derivative is actually a weak, multicentred hydrogen bond

Thakur, TS; Desiraju, GR

Chem. Commun.2006, 552-554.DOI:10.1039/b514427b


276

Synthon evolution and unit cell evolution during crystallisation. A study of symmetry-independent molecules (Z ‘ > 1) in crystals of some hydroxy compounds

Das, D; Banerjee, R; Mondal, R; Howard, JAK; Boese, R; Desiraju, GR

Chem. Commun.2006, 555-557.DOI:10.1039/b514076e


275

Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study

Munshi, P; Thakur, TS; Row, TNG; Desiraju, GR

Acta Crystallogr., Sect. B2006,62, 118-127.DOI:10.1107/S0108768105033689


274

Dimorphs of 4′-amino-4-hydroxy-2′-methylbiphenyl: Assessment of likelihood of polymorphism in flexible molecules

Dey, A; Desiraju, GR

CrystEngComm 2006, 8, 477-481.DOI:10.1039/b605751a


273

Effects of the substituent on the formation of dimers and catemers in phenylpyruvic acids

Das, D; Desiraju, GR

CrystEngComm 2006, 8, 674-679.DOI:10.1039/b606054d


272

Synthon robustness in saccharinate salts of some substituted pyridines

Banerjee, R; Saha, BK; Desiraju, GR

CrystEngComm 2006, 8, 680-685.DOI:10.1039/b608926g


271

Crystal structure prediction with the supramolecular synthon approach: Experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction

Dey, A; Pati, NN; Desiraju, GR

CrystEngComm 2006, 8, 751-755.DOI:10.1039/b609101f


270

Saccharin salts of active pharmaceutical ingredients, their crystal structures, and increased water solubilities

Banerjee, R; Bhatt, PM; Ravindra, NV; Desiraju, GR

Cryst. Growth Des. 2005, 5, 2299-2309.DOI:10.1021/cg050125l 2005


269

Crystal structure prediction of aminols: Advantages of a supramolecular synthon approach with experimental structures

Dey, A; Kirchner, MT; Vangala, VR; Desiraju, GR; Mondal, R; Howard, JAK

J. Am. Chem. Soc.2005, 127, 10545-10559.DOI:10.1021/ja042738c


268

Balancing the equation

Desiraju, GR

Curr. Sci. 2005, 89, 5-6.


267

A virtual screening approach for thymidine monophosphate kinase inhibitors as antitubercular agents based on docking and pharmaeophore models

Gopalakrishnan, B; Aparna, V; Jeevan, J; Ravi, M; Desiraju, GR

J. Chem. Inf. Model.2005, 45, 1101-1108.DOI:10.1021/ci050064z


266

A rare syn-anti catemer in 4-nitrophenyl-propiolic acid

Das, D; Desiraju, GR; Jetti, RKR; Boese, R

Acta Crystallogr., Sect. E2005,61, O1588- O1589.DOI:10.1107/S1600536805013310


265

Virtual screening of 4-anilinoquinazoline analogues as EGFR kinase inhibitors: Importance of hydrogen bonds in the evaluation of poses and scoring functions

Aparna, V; Rambabu, G; Panigrahi, SK; Sarma, JARP; Desiraju, GR

J. Chem. Inf. Model.2005, 45, 725-738DOI:10.1021/ci049676u


264

2-(Methylsulfanyl)nicotinic acid

Basavoju, S; Reddy, CM; Desiraju, GR

Acta Crystallogr., Sect. E2005,61, O822- O823.DOI:10.1107/S1600536805005568


263

Saccharin as a salt former. Enhanced solubilities of saccharinates of active pharmaceutical ingredients

Bhatt, PM; Ravindra, NV; Banerjee, R; Desiraju, GR

Chem. Commun.2005, 1073-1075.DOI:10.1039/b416137h


262

Chemistry – The middle kingdom

Desiraju, GR

Curr. Sci. 2005, 88, 374-380.


261

Dianiline-diphenol molecular complexes based on supraminol recognition

Vangala, VR; Mondal, R; Broder, CK; Howard, JAK; Desiraju, GR Cryst. Growth Des. 2005, 5, 99-104.DOI:10.1021/cg049967v


260

Structural studies of the system Na(saccharinate)n· H2O: A model for crystallization

Banerjee, R; Bhatt, PM; Kirchner, MT; Desiraju, GR

Angew. Chem., Int. Ed.2005,44, 2515-2520.DOI:10.1002/anie.200462967


259

Sorting of polymorphs based on mechanical properties. Trimorphs of 6-chloro-2,4-dinitroaniline

Reddy, CM; Basavoju, S; Desiraju, GR

Chem. Commun.2005, 2439-2441.DOI:10.1039/b500712g


258

Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers

Dey, A; Desiraju, GR

Chem. Commun.2005, 2486-2488.DOI:10.1039/b502516h


257

C–H···O and other weak hydrogen bonds. From crystal engineering to virtual screening

Desiraju, GR

Chem. Commun.2005, 2995-3001.DOI:10.1039/b504372g


256

Structural basis for bending of organic crystals

Reddy, CM; Gundakaram, RC; Basavoju, S; Kirchner, MT; Padmanabhan, KA; Desiraju, GR

Chem. Commun.2005, 3945-3947.DOI:10.1039/b505103g

images


Publications 2004 – 2000


255

Supramolecular equivalence of ethynyl, chloro, bromo and iodo groups. A comparison of the crystal structures of some 4-phenoxyanilines

Dey, A; Desiraju, GR

CrystEngComm 2004, 6, 642-646.DOI:10.1039/b416962j


254

Counterpoint: What’s in a name?

Desiraju, GR

Cryst. Growth Des. 2004, 4, 1089-1090.DOI:10.1021/cg030085q


253

Midsummer madness

Desiraju, GR

Nature 2004, 431, 25-25.DOI:10.1038/431025a


252

For whom the bells toll

Desiraju, GR

Curr. Sci.2004, 87, 276-276.


251

Organic chlorine as a hydrogen-bridge acceptor: Evidence for the existence of intramolecular O–H···Cl-C interactions in some gem-alkynols

Banerjee, R; Desiraju, GR; Mondal, R; Howard, JAK

Chem. Eur. J. 2004, 10, 3373-3383.DOI:10.1002/chem.200400003


250

A novel saturated hydrogen bridge architecture in supraminols

Bhogala, BR; Vangala, VR; Smith, PS; Howard, JAK; Desiraju, GR

Cryst. Growth Des. 2004, 4, 647-649.DOI:10.1021/eg049916y


249

Structural variations and polymorphism of some derivatives of 6-amino-2-phenylsulfonylimino-1,2-dihydropyridine

Kirchner, MT; Reddy, LS; Desiraju, GR; Jetti, RKR; Boese, R

Cryst. Growth Des. 2004, 4, 701-709.DOI:10.1021/cg049912t


248

A 1 : 1 molecular complex of 4-aminocyclohexanol and (4-hydroxycyclohexyl)carbamic acid

Dey, A; Desiraju, GR; Mondal, R; Howard, JAK

Acta Crystallogr., Sect. E2004,60, O857-O859.DOI:10.1107/S1600536804009134


247

Host-guest and network structures of some tetraphenylmethane derivatives

Basavoju, S; Aitipamula, S; Desiraju, GR

CrystEngComm 2004, 6, 120-125.DOI:10.1039/b403858b


246

Gauche and staggered forms of diethylamine in solvates of 1,5-dichloro-cis-9,10-diethynyl-9,10-dihydroanthracene-9,10-diol. A case of conformational pseudopolymorphism?

Mondal, R; Howard, JAK; Banerjee, R; Desiraju, GR

Chem. Commun. 2004, 644-645.DOI:10.1039/b316270b


245

N–H···O, O–H···O, and C–H···O hydrogen bonds in protein-ligand complexes: Strong and weak interactions in molecular recognition

Sarkhel, S; Desiraju, GR

Prot.: Struct., Funct., Gen.2004, 54, 247-259.DOI:10.1002/prot.10567


244

Polymorphism of 1,3,5-trinitrobenzene induced by a trisindane additive

Thallapally, PK; Jetti, RKR; Katz, AK; Carrell, HL; Singh, K; Lahiri, K; Kotha, S; Boese, R; Desiraju, GR

Angew. Chem., Int. Ed.2004,43, 1149-1155.DOI:10.1002/anie.200352253


243

Homology modelling in protein structure prediction: Epidermal growth factor receptor kinase domain

Panigrahi, SK; Desiraju, GR

Natl. Acad. Sci. Lett., India 2004, 27, 1-11.


242

Proton transfer and N+–H···S- hydrogen bonds in the crystal structure of 4-aminothiophenol

Jetti, RKR; Boese, R; Thakur, TS; Vangala, VR; Desiraju, GR

Chem. Commun.2004, 2526-2527.DOI:10.1039/b407319c


241

Crystal engineering in the aminophenols. Novel carborundum network in a supramolecular homologous series

Dey, A; Desiraju, GR; Mondal, R; Howard, JAK

Chem. Commun.2004, 2528-2529.DOI:10.1039/b407510b


240

Correspondence between molecular functionality and crystal structures. Supramolecular chemistry of a family of homologated aminophenols

Vangala, VR; Bhogala, BR; Dey, A; Desiraju, GR; Broder, CK; Smith, PS; Mondal, R; Howard, JAK; Wilson, CC

J. Am. Chem. Soc.2003, 125, 14495-14509.DOI:10.1021/ja037227p


239

Crystal and co-crystal

Desiraju, GR

CrystEngComm 2003, 5, 466-467.DOI:10.1039/b313552g


238

Multiple molecules in the crystallographic asymmetric unit. Self host-guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols

Aitipamula, S; Desiraju, GR; Jaskolski, M; Nangia, A; Thaimattam, R

CrystEngComm 2003, 5, 447-450 DOI: 10.1039/b312085f


237

Five new pseudopolymorphs of sym-trinitrobenzene

Jetti, RKR; Boese, R; Thallapally, PK; Desiraju, GR

Cryst. Growth Des. 2003, 3, 1033-1040.DOI:10.1021/cg034141z


236

Design of EGFR kinase inhibitors: A ligand-based approach and its confirmation with structure-based studies

Vema, A; Panigrahi, SK; Rambabu, G; Gopalakrishnan, B; Sarma, JARP; Desiraju, GR

Bioorg. Med. Chem. 2003, 11, 4643-4653.DOI:10.1016/S0968-0896(03)00482-6


235

Square networks based on the Br…NO2 supramolecular synthon

Thallapally, PK; Basavoju, S; Desiraju, GR; Bagieu-Beucher, M; Masse, R; Nicoud, JF

Curr. Sci. 2003, 85, 995-1001.


234

Stereoelectronic effects of substituent groups in the solid state. Crystal chemistry of some cubanecarboxylic and phenylpropiolic acids

Das, D; Jetti, RKR; Boese, R; Desiraju, GR

Cryst. Growth Des. 2003, 3, 675-681.DOI:10.1021/cg0341252


233

Crystal engineering. From molecules materials

Desiraju, GR

J. Mol. Str.2003, 656, 5-15.DOI:10.1016/S0022-2860(03)00354-5


232

Coupling octupoles in crystals: The case of the 1,3,5-trinitrobenzene-triphenylene 1 : 1 molecular co-crystal

Zyss, J; Ledoux-Rak, I; Weiss, HC; Blaser, D; Boese, R; Thallapally, PK; Thalladi, VR; Desiraju, GR

Chem. Mater.2003, 15, 3063-3073.DOI:10.1021/cm031018m


231

Sir Arthur Cotton

Desiraju, GR

Curr. Sci.2003, 85, 236-236.


230

Crystal: clear difference from glass – Reply

Desiraju, GR

Nature 2003, 423, 918-918.DOI:10.1038/423918a


229

Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines

Dey, A; Jetti, RKR; Boese, R; Desiraju, GR

CrystEngComm 2003, 5, 248-252.DOI:10.1039/b304785g


228

In search of clarity

Desiraju, GR

Nature 2003, 423, 485-485.DOI:10.1038/423485a


227

C–H···O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles

Thallapally, PK; Katz, AK; Carrell, HL; Desiraju, GR

CrystEngComm 2003, 87-92.DOI:10.1039/b301677c


226

Crystal engineering – retrospect and prospect

Desiraju, GR

J. Indian Chem. Soc.2003, 80, 151-155.


225

Dilemmas in crystallization. The ‘unusual’ behavior of trans-1,5-dichloro-9,10-diethynyl-9,10-dihydroanthracene-9,10-diol and the more ‘normal’ behavior of its pseudopolymorphs with dipolar aprotic solvents

Banerjee, R; Desiraju, GR; Mondal, R; Batsanov, AS; Broder, CK; Howard, JAK

Helv. Chim. Acta. 2003, 86, 1339-1351.DOI:10.1002/hlca.200390121


224

Searching for a polymorph: Second crystal form of 6-amino-2-phenylsulfonylimino-1,2-dihydropyridine

Jetti, RKR; Boese, R; Sarma, JARP; Reddy, LS; Vishweshwar, P; Desiraju, GR

Angew. Chem., Int. Ed.2004, 42, 1963-1967.DOI:10.1002/anie.200250660


223

Computer-aided design of selective COX-2 inhibitors: Comparative molecular field analysis, comparative molecular similarity indices analysis, and docking studies of some 1,2-diarylimidazole derivatives

Desiraju, GR; Gopalakrishnan, B; Jetti, RKR; Nagaraju, A; Raveendra, D; Sarma, JARP; Sobhia, ME; Thilagavathi, R

J. Med. Chem.2002, 45, 4847-4857.DOI:10.1021/jm020198t


222

The ingredients: A guided tour of the elements

Desiraju, GR

Nature 2002, 419, 434-434.DOI:10.1038/419434a


221

A 1 : 1 molecular complex of bis(4-aminophenyl) disulfide and 4-aminothiophenol

Vangala, VR; Desiraju, GR; Jetti, RKR; Blaser, D; Boese, R

Acta Crystallogr., Sect. C2002,58, O635-O636.DOI:10.1107/S0108270102012994


220

Title: Cryptic crystallography

Desiraju, GR

Nature Mater. 2002, 1, 77-79.DOI:10.1038/nmat726


219

‘Bond free’

Desiraju, GR

CrystEngComm 2002, 4, 499-499.DOI:10.1039/b208166k


218

Innovation in crystal engineering

Braga, D; Desiraju, GR; Miller, JS; Orpen, AG; Price, SL

CrystEngComm. 2002, 4, 500-509DOI:10.1039/b207466b


217

3,5-dinitrosalicylic acid-phenazine (1/1)

Kumar, VSS; Kuduva, SS; Desiraju, GR

Acta Crystallogr., Sect. E.2002,58, o865- o866.DOI:10.1107/S1600536802012473


216

Crystal structures and packing of 2,4,6-tris(4-fluorophenoxy)-1,3,5-triazine and 2,4,6-tris(3,4-dimethylphenoxy)-1,3,5-triazine. New materials for octupolar nonlinear optics

Boese, R; Desiraju, GR; Jetti, RKR; Kirchner, MT; Ledoux, I ; Thalladi, VR; Zyss, J

Struct. Chem. 2002, 13, 321-328.DOI:10.1023/A:1015868024637


215

Title: Hydrogen bridges in crystal engineering: Interactions without borders

Desiraju, GR

Acc. Chem. Res.2002, 35, 565-573DOI:10.1021/ar010054t


214

Crystal engineering

Desiraju, GR

Abstr. Papers Am. Chem. Soc.2002, 223, U632-U632


213

Molecular crystals

Desiraju, GR; Hulliger, J

Curr. Opin. Solid St. Mater. Sci.2002, 6, 107-108.DOI:10.1016/S1359-0286(02)00043-8


212

Topological equivalences between organic and coordination polymer crystal structures: An organic ladder formed with three-connected molecular and supramolecular synthons

Aitipamula, S; Thallapally, PK; Thaimattam, R; Jaskolski, M; Desiraju, GR

Org. Lett. 2002, 4, 921-924.DOI:10.1021/ol017284s


211

The supramolecular synthon approach to crystal structure prediction

Sarma, JARP; Desiraju, GR

Cryst. Growth Des. 2002, 2, 93-100.DOI:10.1021/cg015576u


210

Polite and impolite

Desiraju, GR

Curr. Sci. 2002, 82, 9-9.


209

Crystallography and crystallographers. Personal reflections on the past, the present and the future of crystallography on the occasion of the 125-year anniversary of Zeitschrift fur Kristallographie

Desiraju, GR

Z. Kristallogr. 2002, 217, 297-298.DOI:10.1524/zkri.217.7.297.23642


208

1,3-Dibromo-2,4,6-trinitrobenzene (DBTNB). Crystal engineering and perfect polar alignment of two-dimensional hyperpolarizable chromophores

Thallapally, PK; Desiraju, GR; Bagieu-Beucher, M; Masse, R; Bourgogne, C; Nicoud, JF

Chem. Commun.2002, 1052-1053.DOI:10.1039/b201224c


207

Supramolecular synthons based on N–H···N and C–H···O hydrogen bonds. Crystal engineering of a helical structure with 5,5-diethylbarbituric acid

Vishweshwar, P; Thaimattam, R; Jaskolski, M; Desiraju, GR

Chem. Commun. 2002, 1830-1831.DOI:10.1039/b204388b


206

Unusually long cooperative chain of seven hydrogen bonds. An alternative packing type for symmetrical phenols

Thallapally, PK; Katz, AK; Carrell, HL; Desiraju, GR

Chem. Commun. 2002, 344-345.DOI:10.1039/b110036j


205

Steroidal aromatase inhibitors: Model receptor surfaces and 3D QSAR

Jetti, RKR; Anthony, A; Nangia, A; Desiraju, GR

Indian J. Chem., Sect B: Org. Chem. Inc.l Med. Chem. 2001, 40, 1054-1062.


204

Crystal engineering: Outlook and prospects

Desiraju, GR

Curr. Sci. 2001, 81, 1038-1042.


203

Crystal engineering in the gem-alkynol family: the key role of water in the structure of 2,3,5,6-tetrabromo-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol dihydrate determined by X-ray and neutron diffraction at 150 K

Bilton, C; Howard, JAK; Madhavi, NNL; Desiraju, GR; Allen, FH; Wilson, CC

Acta Crystallogr., Sect. B2001,57,560-566.DOI:10.1107/S0108768101008412


202

Crystal structures and packing of 4-cyanocubanecarboxylic acid, its methyl ester, and the solid solution of 1,4-dicyanocubane and 1,4-dibromicubane

Kuduva, SS; Blaser, D; Boese, R; Desiraju, GR

Struct. Chem. 2001, 12, 259-266.DOI:10.1023/A:1016672326189


201

Chemistry beyond the molecule

Desiraju, GR

Nature 2001, 412, 397-400.DOI:10.1038/35086640


200

Computer-aided design of selective COX-2 inhibitors: comparative molecular field analysis and docking studies of some 3,4-diaryloxazolone derivatives

Desiraju, GR; Sarma, JARP; Raveendra, D; Gopalakrishnan, B; Thilagavathi, R; Sobhia, ME; Subramanya, HS

J. Phys. Org. Chem. 2001, 14, 481-487.DOI:10.1002/poc.393


199

Something is rotten in the state of education

Desiraju, GR

Curr. Sci. 2001, 80, 1248-1249.


198

Inclusion compounds of tetrakis(4-nitrophenyl)methane: C–H···O networks, pseudopolymorphism, and structural transformations

Thaimattam, R; Xue, F; Sarma, JARP; Mak, TCW; Desiraju, GR

J. Am. Chem. Soc.2001, 123, 4432-4445.DOI:10.1021/ja0031826


197

Molecular complexation as a design tool in the crystal engineering of noncentrosymmetric structures. Ideal orientation of chromophores linked by O–H···O and C–H···O hydrogen bonds for nonlinear optics

Muthuraman, M; Masse, R; Nicoud, JF; Desiraju, GR

Chem. Mater. 2001, 13, 1473-1479.DOI:10.1021/cm000927y


196

Current opinion in solid state & materials science molecular crystals and materials

Desiraju, GR; Hulliger, J

Curr. Opin. Solid St. Mater. Sci., 2001, 5, 105-106.DOI:10.1016/S1359-0286(01)00015-8


195

Crystal engineering of primary cubanecarboxamides. Repetitive formation of an unexpected N–H···O hydrogen-bonded network

Kuduva, SS; Blaser, D; Boese, R; Desiraju, GR

J. Org. Chem. 2001, 66, 1621-1626.DOI:10.1021/jo0013453


194

Diamondoid and square grid networks in the same structure. Crystal engineering with the iodo···nitro supramolecular synthon

Thaimattam, R; Sharma, CVK; Clearfield, A; Desiraju, GR

Cryst. Growth Des. 2001,1, 103-106.DOI:10.1021/cg010286z


193

Hydrogen bonding in two tetracyclic indole alkaloids

Varma, AK; Nangia, A; Desiraju, GR; Giri, VS; Jaisankar, P

Acta Crystallogr., Sect. C2001, 57, 97-99.DOI:10.1107/S0108270100014220


192

Nonlinear optical crystals designed with 4-nitrophenolate chromophores: An engineering route using a multidipolar chromophore, 3-hydroxy-2,4,6-trinitrophenolate

Muthuraman, M; Nicoud, JF; Masse, R; Desiraju, GR

Mol. Cryst. Liq. Cryst. 2001, 356, 1-13.DOI:10.1080/10587250108023681


191

Crystal structure of N,N ‘-di-5-nitrosalicylidene-(R,R)-1,2-cyclohexanediamine, C20H20N4O6

Muthuraman, M; Nicoud, JF; Masse, R; Desiraju, GR

Z. Kristallogr – New Cryst. Struct. 2001, 216, 381-382.


190

Crystal structure of N,N ‘-di-5-nitrosalicylidene-(R,S)-1,2-cyclohexanediamine, C20H20N4O6

Muthuraman, M; Nicoud, JF; Masse, R; Desiraju, GR

Z. Kristallogr – New Cryst. Struct. 2001, 216, 383-384.


189

Crystallization of pseudopolymorphs of some gamboge pigments. Pyrirdine, dimethylformamide and dimethylsulfoxide solvates of morellic acid, gambogic acid and guttiferic acid

Anthony, A; Desiraju, GR

Supramol. Chem. 2001, 13, 11-23.DOI:10.1080/10610270108034878


188

Area correction of multi-atom-acceptor hydrogen bond frequency distributions

Ciunik, Z; Desiraju, GR

Chem. Commun. 2001, 703-704.DOI:10.1039/b009227b


187

Matching of molecular and supramolecular symmetry. An exercise in crystal engineering

Thallapally, PK; Chakraborty, K; Katz, AK; Carrell, HL; Kotha, S; Desiraju, GR

CrystEngComm 2001, 3, 134-136.DOI:10.1039/B104431C


186

Crystal engineering in the gem-alkynol family: interplay between strong and weak interactions in structures of 2,3,5,6-tetrahalo[F,Cl,Br]-trans-1,4-diethynylcyclohexa-2,5-diene-1,4-diols

Madhavi, NNL; Desiraju, GR; Bilton, C; Howard, JAK; Allen, FH

Acta Crystallogr., Sect. B 2000, 56, 1063-1070.DOI:10.1107/S0108768100011496


185

Crystal engineering in the gem-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O–H···O hydrogen bonds

Bilton, C; Howard, JAK; Madhavi, NNL; Nangia, A; Desiraju, GR; Allen, FH; Wilson, CC

Acta Crystallogr., Sect. B2000,56, 1071-1079.DOI:10.1107/S010876810001154X


184

Halogen trimer synthons in crystal engineering: low-temperature X-ray and neutron diffraction study of the 1 : 1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene

Broder, CK; Howard, JAK; Keen, DA; Wilson, CC; Allen, FH; Jetti, RKR; Nangia, A; Desiraju, GR

Acta Crystallogr., Sect. B2000,56, 1080-1084.DOI:10.1107/S0108768100011551


183

The all-chemist – Linus Pauling set the agenda for a century of chemical research

Desiraju, GR

Nature 2000, 408, 407-407.DOI:10.1038/35044150


182

Mendeleyev’s dream: The quest for the elements

Desiraju, GR

Nature 2000, 408, 29-30.


181

4-Ethynyl-4-hydroxycyclohexan-1-one and 4-ethynyl-4-hydroxy-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one

Bilton, C; Howard, JAK; Madhavi, NNL; Desiraju, GR; Allen, FH

Acta Crystallogr., Sect. C2000,56, 1356-1358.DOI:10.1107/S0108270100011355


180

Racemic 1,2-diphenylbut-3-yn-2-ol

Madhavi, NNL; Desiraju, GR; Bilton, C; Howard, JAK; Allen, FH

Acta Crystallogr., Sect. C2000,56,1359-1360.DOI:10.1107/S0108270100011343


179

Melting-points of the meta- and para-isomers of anisylpinacolone

Kuduva, SS; Sarma, JARP; Katz, AK; Carrell, HL; Desiraju, GR

J. Phys. Org. Chem. 2000, 13, 719-728DOI:10.1002/1099-1395


178

Shape and size effects in the crystal structures of complexes of 1,3,5-trinitrobenzene with some trigonal donors: The benzene-thiophene exchange rule

Thallapally, PK; Chakraborty, K; Carrell, HL; Kotha, S; Desiraju, GR

Tetrahedron 2000, 56, 6721-6728.DOI:10.1016/S0040-4020(00)00493-2


177

Benzyltriphenylphosphonium glutaconaldehyde

Muthuraman, M; Nicoud, JF; Masse, R; Desiraju, GR

Acta Crystallogr., Sect. C2000,56, 986-988.DOI:10.1107/S0108270100005862


176

Candid science: Conversations with famous chemists

Desiraju, GR

Nature 2000, 405, 996-997.


175

C–H···O and C–H···N hydrogen bond networks in the crystal structures of some 1,2-dihydro-N-aryl-4,6-dimethylpyrimidin-2-ones

Muthuraman, M; Le Fur, Y; Bagieu-Beucher, M; Masse, R; Nicoud, JF; George, S; Nangia, A; Desiraju, GR

J. Solid State Chem. 2000, 152, 221-228.DOI:10.1006/jssc.2000.8685


174

Tris(2-cyanoethyl) isocyanurate

Thallapally, PK; Desiraju, GR

Acta Crystallogr., Sect. C2000,56, 572-573.DOI:10.1107/S0108270100001396


173

The even/odd disparity in organic compounds

Desiraju, GR; Dunitz, JD; Nangia, A; Sarma, JARP; Zass, E

Helv. Chim. Acta 2000, 83, 1-15.


172

Three-dimensional quantitative structural activity relationship (3D-QSAR) studies of some 1,5-diarylpyrazoles: Analogue based design of selective cyclooxygenase-2 inhibitors

Desiraju, GR; Gopalakrishnan, B; Jetti, RKR; Raveendra, D; Sarma, JARP; Subramanya, HS

Molecules 2000, 5, 945-955.DOI:10.3390/50700945


171

Molecular dynamics study of the solid state photoreactivity of 3-and 4-cyano-trans-cinnamic acids

Sarma, JARP; Chaudhuri, B; Desiraju, GR

Indian J. Chem. Sect A 2000, 39, 253-261.


170

Seeking structural repetitivity in systems with interaction interference: crystal engineering in the gem-alkynol family

Madhavi, NNL; Bilton, C; Howard, JAH; Allen, FH; Nangia, A; Desiraju, GR

New J. Chem.2000, 24, 1-4.


169

Hydrogen bonds and other intermolecular interactions in organometallic crystals

Desiraju, GR

J. Chem. Soc, Dalton Trans.2000, 3745-3751.DOI:10.1039/b003285i

images


Publications 1999 – 1990


168

A comparative study of the crystal structures of tetrahalogenated hydroquinones and gamma-hydroquinone

Thalladi, VR; Weiss, HC; Boese, R; Nangia, A; Desiraju, GR

Acta Crystallogr., Sect. B 1999, 55, 1005-1013.DOI:10.1107/S0108768199005911


167

4-(triphenylmethyl)phenol-triphenyl-phosphine oxide (1/1)

Jetti, RKR; Weiss, HC; Thalladi, VR; Boese, R; Nangia, A; Desiraju, GR

Acta Crystallogr., Sect. C 1999, 55, 1530-1533.DOI:10.1107/S0108270199006290


166

Steering non-centrosymmetry into the third dimension: crystal engineering of an octupolar nonlinear optical crystal

Thalladi, VR; Boese, R; Brasselet, S; Ledoux, I; Zyss, J; Jetti, RKR; Desiraju, GR

Chemical Commun. 1999, 1639-1640.DOI:10.1039/a904490f


165

When is a polymorph not a polymorph? Helical trimeric O–H…O synthons in trans-1,4-diethynylcyclohexane-1,4-diol

Bilton, C; Howard, JAK; Madhavi, NNL; Nangia, A; Desiraju, GR; Allen, FH; Wilson, CC

Chemical Commun. 1999, 1675-1676.DOI:10.1039/a905025f


164

Engineering of non-linear optical crystals displaying a quasi perfect polar alignment of chromophores

Muthuraman, M; Le Fur, Y; Bagieu-Beucher, M; Masse, R; Nicoud, JF; Desiraju, GR

J. Mater. Chem. 1999, 9, 2233-2239.DOI:10.1039/a902498k


163

The ultimate goal of science

Desiraju, GR

Curr. Sci. 1999, 77, 485-486.


162

Sodium 4-nitrophenolate 4-nitrophenol dihydrate crystal: a new herringbone structure for quadratic nonlinear optics

Muthuraman, M; Bagieu-Beucher, M; Masse, R; Nicoud, JF; Desiraju, GR

J. Mater. Chem. 1999, 9, 1471-1474.DOI:10.1039/a900613c


161

Pseudopolymorphs of 3,5-dinitrosalicylic acid

Kumar, VSS; Kuduva, SS; Desiraju, GR

J. Chem. Soc., Perkin Trans 2 1999, 1069-1073.


160

Tri-p-tolyl-1,3,5-triazine

Thalladi, VR; Muthuraman, M; Nangia, A; Desiraju, GR

Acta Crystallogr., Sect. C 1999, 55, 698-700.DOI:10.1107/S0108270198018496


159

Pseudopolymorphism: occurrences of hydrogen bonding organic solvents in molecular crystals

Nangia, A; Desiraju, GR

Chem. Commun. 1999, 605-606.DOI:10.1039/a809755k


158

Cubanecarboxylic acids. Crystal engineering considerations and the role of C–H…O hydrogen bonds in determining O–H…O networks

Kuduva, SS; Craig, DC; Nangia, A; Desiraju, GR

J. Am. Chem. Soc. 1999, 121, 1936-1944.DOI:10.1021/ja981967u


157

Crystal structure of sodium glutaconaldehyde tetrahydrate, Na-2(C5H5O2)2.4H2O

Muthuraman, M; Le Fur, Y; Nicoud, JF; Masse, R; Desiraju, G

Z. Kristallogr., 1999, 214, 283-284.


156

When is a polymorph not a polymorph? Helical trimeric O-H…O synthons in trans-1,4-diethynylcyclohexane-1,4-diol

Bilton, C; Howard, JAK; Madhavi, NNL; Nangia, A; Desiraju, GR; Allen, FH; Wilson, CC

Chem. Commun. 1999, 2321-2321.


155

17,17-Ethylenedioxyandrost-4-ene-3,6-dio and 17,17-ethylenedioxyandrosta-1,4-diene-3,6-dione

Anthony, A; Jaskolski, M; Nangia, A; Desiraju, GR

Acta Crystallogr., Sect. C 1998, 54, 1894-1898.DOI:10.1107/S0108270198008385


154

5 beta-androstan-3,17-dione

Anthony, A; Jaskolski, M; Nangia, A; Desiraju, GR

Acta Crystallogr., Sect. C 1998, 54, 1898-1900.DOI:10.1107/S010827019800804X


153

Supramolecular synthons mediated by weak hydrogen bonding: forming linear molecular arrays via C=C–H…N=C and C=C–H…O=N recognition

Langley, PJ; Hulliger, J; Thaimattam, R; Desiraju, GR

New J. Chem. 1998, 22, 1307-1309.DOI:10.1039/a807552b


152

Isostructurality in crystalline oxa-androgens: a case of C–O–H…O and C–H…O interaction mimicry and solid solution formation

Anthony, A; Jaskolski, M; Nangia, A; Desiraju, GR

Chem. Commun. 1999, 2537-2538.DOI:10.1039/a806607h


151

Supramolecular structures – Reason and imagination

Nangia, A; Desiraju, GR

Acta Crystallogr., Sect. A 1998, 54, 934-944.DOI:10.1107/S0108767398008551


150

C–H…F interactions in the crystal structures of some fluorobenzenes

Thalladi, VR; Weiss, HC; Blaser, D; Boese, R; Nangia, A; Desiraju, GR

J. Am. Chem. Soc. 1998, 120, 8702-8710.DOI:10.1021/ja981198e


149

Synthesis, X-ray crystal structures and biological evaluation of some mono- and bi-cyclic 1,3-diazetidin-2-ones: non-natural beta-lactam analogues

Chandrakala, PS; Katz, AK; Carrell, HL; Sailaja, PR; Podile, AR; Nangia, A; Desiraju, GR

J. Chem. Soc., Perkin Trans. 1 1998, 2597-2608.DOI:10.1039/a802438c


148

Interplay of strong and weak hydrogen bonding in molecular complexes of some 4,4 ‘-disubstituted biphenyls with urea, thiourea and water

Thaimattam, R; Reddy, DS; Xue, F; Mak, TCW; Nangia, A; Desiraju, GR

J. Chem. Soc., Perkin Trans. 2 1998, 1783-1789.DOI:10.1039/a802452i


147

Octupolar versus dipolar crystalline structures for nonlinear optics: A dual crystal and propagative engineering approach

Zyss, J; Brasselet, S; Thalladi, VR; Desiraju, GR

J. Chem. Phys. 1998, 109, 658-669.DOI:10.1063/1.476604


146

Crystal engineering and organometallic architecture

Braga, D; Grepioni, F; Desiraju, GR

Chem. Rev. 1998, 98, 1375-1405.DOI:10.1021/cr960091b


145

Crystal engineering: Some further strategies

Anthony, A; Desiraju, GR; Jetti, RKR; Kuduva, SS; Madhavi, NNL; Nangia, A; Thaimattam, R; Thalladi, VR

Mater. Res. Bull. 1998, Supplement: S


144

Distinction between the weak hydrogen bond and the van der Waals interaction

Steiner, T; Desiraju, GR

Chem. Commun. 1998, 891-892.DOI:10.1039/a708099i


143

Crystal engineering of some 2,4,6-triaryloxy-1,3,5-triazines: Octupolar nonlinear materials

Thalladi, VR; Brasselet, S; Weiss, HC; Blaser, D; Katz, AK; Carrell, HL; Boese, R; Zyss, J; Nangia, A; Desiraju, GR

J. Am. Chem. Soc. 1998, 120, 2563-2577.DOI:10.1021/ja972830r


142

4-(triphenylmethyl)benzoic acid: a supramolecular wheel-and-axle host compound

Jetti, RKR; Kuduva, SS; Reddy, DS; Xue, F; Mak, TCW; Nangia, A; Desiraju, GR

Tetrahedron Lett. 1998, 39, 913-916.DOI:10.1016/S0040-4039(97)10690-6


141

Molecular networks in the crystal structures of tetrakis(4-iodophenyl)methane and (4-iodsphenyl)triphenylmethane

Thaimattam, R; Reddy, DS; Xue, F; Mak, TCW; Nangia, A; Desiraju, GR

New J. Chem. 1998, 22, 143-148.DOI:10.1039/a707637a


140

Trimethyl isocyanurate and triethyl isocyanurate

Thalladi, VR; Katz, AK; Carrell, HL; Nangia, A; Desiraju, GR

Acta Crystallogr., Sect. C 1998, 54, 86-89.DOI:10.1107/S010827019701384X


139

Supramolecular synthons and pattern recognition

Nangia, A; Desiraju, GR

Top. Curr. Chem. 1998, 198, 57-95.


138

Hydrogen bonding in organometallic crystals – a survey

Braga, D; Grepioni, F; Desiraju, GR

J. Organomet. Chem. 1997, 548, 33-43.DOI:10.1016/S0022-328X(97)00255-6


137

Halogen…O(nitro) supramolecular synthon in crystal engineering: A combined crystallographic database and ab initio molecular orbital study

Allen, FH; Lommerse, JPM; Hoy, VJ; Howard, JAK; Desiraju, GR

Acta Crystallogr., Sect. B 1997, 53, 1006-1016.DOI:10.1107/S0108768197010227


136

Evidence for the characterisation of the C-H-pi interaction as a weak hydrogen bond: toluene and chlorobenzene solvates of 2,3,7,8-tetraphenyl-1,9,10-anthyridine

Madhavi, NNL; Katz, AK; Carrell, HL; Nangia, A; Desiraju, GR

Chem. Commun. 1997,1953-1954.


135

2,6-dibenzoyl-1,4-benzoquinone

Biradha, K; Zaworotko, MJ; Nangia, A; Desiraju, GR

Acta Crystallogr


134

Crystal gazing: Structure prediction and polymorphism

Desiraju, GR

Science 1997, 278, 404-405.DOI:10.1126/science.278.5337.404


133

Engineering of an octupolar non-linear optical crystal: tribenzyl isocyanurate

Thalladi, VR; Brasselet, S; Blaser, D; Boese, R; Zyss, J; Nangia, A; Desiraju, GR

Chem. Commun. 1997, 1841-1842.


132

Designer crystals: intermolecular interactions, network structures and supramolecular synthons

Desiraju, GR

Chem. Commun. 1997, 1475-1482.DOI:10.1039/a607149j


131

Crystal engineering: solid state supramolecular synthesis

Desiraju, GR

Curr. Opin. Sol. St. Mater. Sci. 1997, 2, 451-454.DOI:10.1016/S1359-0286(97)80088-5


130

C–H…O Hydrogen bonded multi-point recognition in molecular assemblies of dibenzylidene ketones and 1,3,5-trinitrobenzenes

Biradha, K; Nangia, A; Desiraju, GR; Carrell, CJ; Carrell, HL

J. Mater. Chem. 1997, 7, 1111-1122.DOI:10.1039/a607106f


129

Even odder carbons

Sarma, JARP; Nangia, A; Desiraju, GR; Zass, E; Dunitz, JD

Nature 1997, 387, 464-465.DOI:10.1038/387464b0


128

Hydrogen bonding in organometallic crystals .6. X–H…M hydrogen bonds and M…(H–X) pseudo-agostic bonds

Braga, D; Grepioni, F; Tedesco, E; Biradha, K; Desiraju, GR

Organometallics 1997, 16, 1846-1856.DOI:10.1021/om9608364


127

Crystal engineering and correspondence between molecular and crystal structures. Are 2- and 3-aminophenols anomalous?

Allen, FH; Hoy, VJ; Howard, JAK; Thalladi, VR; Desiraju, GR; Wilson, CC; McIntyre, GJ

J. Am. Chem. Soc. 1997, 119, 3477-3480.DOI:10.1021/ja964254p


126

2,4-dinitro-trans-cinnamic acid

Thalladi, VR; Sharma, CVK; Desiraju, GR

Acta Crystallogr., Sect. C 1997, 53, 227-229.DOI:10.1107/S0108270196012310


125

Design of an SHG-active crystal, 4-iodo-4′-nitrobiphenyl: The role of supramolecular synthons

Sarma, JARP; Allen, FH; Hoy, VJ; Howard, JAK; Thaimattam, R; Biradha, K; Desiraju, GR

Chem. Commun. 1997, 101-102.DOI:10.1039/a605044a


124

Even-odd carbon atom disparity

Sarma, JARP; Nangia, A; Desiraju, GR; Zass, E; Dunitz, JD

Nature 1996, 384, 320-320.DOI:10.1038/384320a0


123

2,6-dibenzoylhydroquinone

Biradha, K; Desiraju, GR; Carrell, HL; Katz, AK

Acta Crystallogr., Sect. C 1996, 52, 2839-2841.DOI:10.1107/S0108270196007615


122

Agostic interactions in organometallic compounds. A Cambridge Structural Database study

Braga, D; Grepioni, F.; Biradha, K; Desiraju, GR

J. Chem. Soc., Dalton Trans. 1996, 3925-3930.DOI:10.1039/dt9960003925


121

The C–H…O hydrogen bond: Structural implications and supramolecular design

Desiraju, GR

Acc. Chem. Res. 1996, 29, 441-449.DOI:10.1021/ar950135n


120

The hydrogen-bond C-H donor and π-acceptor characteristics of three-membered rings

Allen, FH; Lommerse, JPM; Hoy, VJ; Howard, JAK; Desiraju, GR

Acta Crystallogr., Sect. B 1996, 52, 734-745.DOI:10.1107/S0108768196005319


119

Hydrogen bonding in organometallic crystals .4. M–H…O hydrogen-boding interactions

Braga, D; Grepioni, F; Tedesco, E; Biradha, K; Desiraju, GR

Organometallics 1996, 15, 2692-2699.DOI:10.1021/om9600250


118

First neutron diffraction analysis of an O-H…π hydrogen bond: 2-Ethynyladamantan-2-ol

Allen, FH; Howard, JAK; Hoy, VJ; Desiraju, GR; Reddy, DS; Wilson, CC

J. Am. Chem. Soc. 1996, 118, 4081-4084.DOI:10.1021/ja954057a


117

Supramolecular synthons in crystal engineering .3. Solid state architecture and synthon robustness in some 2,3-dicyano-5,6-dichloro-1,4-dialkoxybenzenes

Reddy, DS; Ovchinnikov, YE; Shishkin, OV; Struchkov, YT; Desiraju, GR

J. Am. Chem. Soc. 1996, 118, 4085-4089.DOI:10.1021/ja953372u


116

Supramolecular synthons in crystal engineering .4. Structure simplification and synthon interchangeability in some organic diamondoid solids

Reddy, DS; Craig, DC; Desiraju, GR

J. Am. Chem. Soc. 1996, 118, 4090-4093.DOI:10.1021/ja953373m


115

Correlation of biological activity in beta-lactam antibiotics with Woodward and Cohen structural parameters – A Cambridge database study

Nangia, A; Biradha, K; Desiraju, GR

J. Chem. Soc., Perkin Trans. 2 1996, 943-953.DOI:10.1039/p29960000943


114

Hydrogen bonding in organometallic crystals .3. Transition-metal complexes containing amido groups

Biradha, K; Desiraju, GR; Braga, D; Grepioni, F

Organometallics 1996, 15, 1284-1295.DOI:10.1021/om950530h


113

Supramolecular synthons in crystal engineering. Structure simplification, synthon robustness and supramolecular retrosynthesis

Thalladi, VR; Goud, BS; Hoy, VJ; Allen, FH; Howard, JAK; Desiraju, GR

Chem. Commun. 1996, 401-402.DOI:10.1039/cc9960000401


112

The supramolecular concept as a bridge between organic, inorganic and organometallic crystal chemistry

Desiraju, GR

J. Mol. Struct. 1996, 374, 191-198.DOI:10.1016/0022-2860(95)08932-2


111

Supramolecular synthons in crystal engineering – a new organic-synthesis

Desiraju, GR

Angew. Chem., Int. Ed. 1995, 34, 2311-2327.DOI:10.1002/anie.199523111


110

1,3,5-Tricyanobenzene

Reddy, DS; Panneerselvam, K; Desiraju, GR; Carrell, HL; Carrell, CJ

Acta Crystallogr., Sect. C 1995, 51, 2352-2354DOI:10.1107/s0108270195004483


109

(4-Dimethylaminopyridine)(5)(benzoic acid)(3)(h2o)(10) – A 2-dimensional clathrate hydrate

Biradha, K; Edwards, RE; Foulds, GJ; Robinson, WT; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1995, 1705-1707.DOI:10.1039/c39950001705


108

Methyl 3,5-dinitro-trans-cinnamate

Sharma, CVK; Panneerselvam, K; Desiraju, GR; Pilati, T

Acta Crystallogr., Sect. C 1995, 51, 1364-1366.DOI:10.1107/S010827019500237X


107

More comments on the NSU and related matters

Desiraju, GR

Curr. Sci. 1995, 68, 1165-1166.


106

Solid-state nuclear bromination of some phenols by n-bromosuccinimide

Goud, BS; Desiraju, GR

J. Chem. Res. 1995, 244-245


105

1/1 Molecular-complex of 2,3,4,5,6-pentafluoro-trans-cinnamic acid and 4-(N,N-dimethylamino)-trans-cinnamic acid

Goud, BS; Reddy, PK; Panneerselvam, K; Desiraju, GR

Acta Crystallogr., Sect. C 1995, 51, 683-685.DOI:10.1107/S0108270194007894


104

Hydrogen-bonding in organometallic crystals .2. C–H…O hydrogen-bonds in bridged and terminal first-row metal-carbonyls

Braga, D; Grepioni, F; Biradha, K; Pedireddi, VR; Desiraju, GR

J. Am. Chem. Soc. 1995, 117, 3156-3166.DOI:10.1021/ja00116a020


103

4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2h)-benzofuranone

Goud, BS; Panneerselvam, K; Zacharias, DE; Desiraju, GR

Acta Crystallogr., Sect. C 1995, 51, 265-267.DOI:10.1107/S0108270194007973


102

Topological equivalences between organic and inorganic crystal-structure – 1,3,5,7-tetrahydroxyadamantane and cesium-chloride

Reddy, DS; Craig, DC; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1995, 339-340.DOI:10.1039/c39950000339


101

Hexagonal supramolecular networks in the crystal-structure of the 1/1 molecular-complex trimethylisocyanurate-1,3,5-trinitrobenzene

Thalladi, VR; Panneerselvam, K; Carrell, CJ; Carrell, HL; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1995, 341-342.DOI:10.1039/c39950000341


100

Intramolecular Michael-type addition in the solid-state

Goud, BS; Panneerselvam, K; Zacharias, DE; Desiraju, GR

J. Chem. Soc., Perkin Trans. 2 1995, 325-330.DOI:10.1039/p29950000325


99

Molecular recognition via iodo…nitro and iodo…cyan interactions – crystal-structures of the 1/1 complexes of 1,4-diiodobenzene with 1,4-dinitrobenzene and 7,7,8,8-tetracyanoquinodimethane (TCNQ)

Allen, FH; Goud, BS; Hoy, VJ; Howard, JAK; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1994, 2729-2730.DOI:10.1039/c39940002729


98

Molecular and crystal-structure of 1-(8-carboxyoctyl)-1,3,5,7-tetraazaadamantan-1-ium bromide and 1-(6-bromohexyl)-1,3,5,7-tetraazaadamantan-1-ium bromide

Reddy, DS; Panneerselvam, K; Shimoni, L; Carrell, HL; Desiraju, GR

J. Mol. Struct. 1994, 327, 113-120.


97

C–H…O hydrogen-bond patterns in crystalline nitro-compounds – studies in solid-state molecular recognition

Sharma, CVK; Desiraju, GR

J. Chem. Soc., Perkin Trans. 2 1994, 2345-2352.DOI:10.1039/p29940002345


96

The nature of halogen…halogen interactions and the crystal-structure of 1,3,5,7-tetraiodoadamantane

Pedireddi, VR; Reddy, DS; Goud, BS; Craig, DC; Rae, AD; Desiraju, GR

J. Chem. Soc., Perkin Trans. 2 1994, 2353-2360.DOI:10.1039/p29940002353


95

Hydrogen-bonding in organometallic crystals .1. From carboxylic-acids and alcohols to carbonyl-complexes

Braga, D; Grepioni, F; Sabatino, P; Desiraju, GR

Organometallics 1994, 13, 3532-3543.DOI:10.1021/om00021a029


94

3-(3′,5′-Dinitrophenyl)-4-(2′,5′-dimethoxyphenyl)cyclobutane-1,2-dicarboxylic acid-Engineered topochemical synthesis and molecular and supramolecular properties

Sharma, CVK; Panneerselvam, K; Shimoni, L; Katz, H; Carrell, HL; Desiraju, GR

Chem. Mater. 1994, 6, 1282-1292.DOI:10.1021/cm00044a027


93

Organic alloys – Diamondoid networks in crystalline complexes of 1,3,5,7-tetrabromoadamantane, hexamethylenetetramine and carbon tetrabromide

Reddy, DS; Craig, DC; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1994, 1457-1458.DOI:10.1039/c39940001457


92

Towards supramolecular inorganic-chemistry

Desiraju, GR

Proc. Ind. Acad. Sci., Chem. Sci. 1994, 106, 593-597.


91

How does one separate a mixture of cuprous chloride and mercurous chloride

Desiraju, GR

Curr. Sci. 1994, 66, 97-98.


90

N…Br mediated diamondoid network in the crystalline complex carbon tetrabromide – hexamethylenetetramine

Reddy, DS; Craig, DC; Rae, AD; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1994, 1737-1739.DOI:10.1039/c39930001737


89

Molecular recognition involving an interplay of O-H…O,C-H…O and π…π-interactions – the anomalous crystal-structure of the 1/1 complex 3,5-dinitrobenzoic acid-4-(n,n-dimethylamino)benzoic acid

Sharma, CVK; Panneerselvam, K; Pilati, T; Desiraju, GR

J. Chem. Soc., Perkin Trans. 2 1993, 2209-2216.DOI:10.1039/p29930002209


88

Solid-state supramolecular assembly via c-h…o hydrogen-bonds – crystal-structures of the complexes of 1,3,5-trinitrobenzene with dibenzylideneacetone and 2,5-dibenzylidenecyclopentanone

Biradha, K; Sharma, CVK; Panneerselvam, K; Shimoni, L; Carrell, HL; Zacharias, DE; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1993, 1473-1475.DOI:10.1039/c39930001473


87

C–H…O packing motifs in some cyclopenta[a]phenanthrenes

Desiraju, GR; Kashino, S; Coombs, MM; Glusker, JP

Acta Crystallogr., Sect. B 1993, 49, 880-892.DOI:10.1107/S0108768193001703


86

Database studies of halide ion-pairs with bridging water and NH2 amino molecules

Pathaneni, SS; Desiraju, GR

J. Chem. Soc., Dalton Trans. 1993, 2505-2508.DOI:10.1039/dt9930002505


85

Structure of 4-iodo-trans-cinnamic acid and a study of carboxyl group disorder

Goud, BS; Pathaneni, SS; Desiraju, GR

Acta Crystallogr., Sect. C 1993, 49, 1107-1111.DOI:10.1107/S0108270192011168


84

Evidence for O–H…C and N–H…C hydrogen-bonding in crystalline alkynes, alkenes, and aromatics

Viswamitra, MA; Radhakrishnan, R; Bandekar, J; Desiraju, GR

J. Am. Chem. Soc. 1993, 115, 4868-4869.DOI:10.1021/ja00064a055


83

Determination of the crystal-structure of 4-iodo-beta-nitrostyrene with the aid of packing considerations – a study of halogen…nitro interactions

Desiraju, GR; Pedireddi, VR; Sarma, JARP; Zacharias, DE

Acta Chim. Hung., Models Chem. 1993, 130, 451-465.


82

Molecular tapes based on CN…Cl interactions

Reddy, DS; Panneerselvam, K; Pilati, T; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1993, 661-662DOI:10.1039/c39930000661


81

C–H…N mediated hexagonal network in the crystal-structure of the 1/1 molecular-complex 1,3,5-tricyanobenzene hexamethylbenzene

Reddy, DS; Goud, BS; Panneerselvam, K; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1993, 663-665DOI:10.1039/c39930000663


80

Structure of (4-bromophenyl)propiolic acid and its unusual hydrogen-bonding pattern

Goud, BS; Desiraju, GR

Acta Crystallogr., Sect. C 1993, 49, 292-294DOI:10.1107/S0108270192007807


79

Database analysis of Au…Au interactions

Pathaneni, SS; Desiraju, GR

J. Chem. Soc., Dalton Trans. 1993, 319-322.DOI:10.1039/dt9930000319


78

A crystallographic scale of carbon acidity

Pedireddi, VR; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1992, 988-990DOI:10.1039/c39920000988


77

Molecular recognition via c-h…o hydrogen-bonding – crystal-structure of the 1/1 complex 4-nitrobenzoic acid 4-(n,n-dimethylamino)benzoic acid

Sharma, CVK; Panneerselvam, K; Pilati, T; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1992, 832-833DOI:10.1039/c39920000832


76

Crystal engineering and solid-state chemistry of some beta-nitrostyrenes

Pedireddi, VR; Sarma, JARP; Desiraju, GR

J. Chem. Soc., Perkin Trans. 2 1992, 311-320.DOI:10.1039/p29920000311


75

C–H…O hydrogen-bonding and the deliberate design of organic-crystal structures

Desiraju, GR

Mol. Cryst. Liq. Cryst. 1992, 211, 63-74DOI:10.1080/10587259208025806


74

Unusual [2+2] topochemical cycloadditions of 3-cyano-cinnamic and 4-cyano-cinnamic acids-temperature-dependent solid-state photochemical-reactions

Dhurjati, MSK; Sarma, JARP; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1991, 1702-1703.DOI:10.1039/c39910001702


73

The C–H…O hydrogen-bond in crystals – what is it?

Desiraju, GR

Acc. Chem. Res. 1991, 24, 290-296. DOI:10.1021/ar00010a002


72

C–H…O hydrogen-bonding and topochemistry in crystalline 3,5-dinitrocinnamic acid and its 1-1 donor-acceptor complex with 2,5-dimethoxycinnamic acid

Desiraju, GR; Sharma, CVKM

J. Chem. Soc., Chem. Commun. 1991, 1239-1241DOI:10.1039/c39910001239


71

Hydration in organic-crystals – prediction from molecular-structure

Desiraju, GR

J. Chem. Soc., Chem. Commun. 1991, 426-428DOI:10.1039/c39910000426


70

Database analysis of crystal-structure-determining interactions involving sulfur – implications for the design of organic metals

Desiraju, GR; Nalini, V

J. Mater. Chem. 1991, 1, 201-203.DOI:10.1039/jm9910100201


69

Pseudoinversion centers in space group p1 and a redetermination of the crystal-structure of 3,4-dimethoxycinnamic acid – a study of non-crystallographic symmetry

Desiraju, GR; Calabrese, JC; Harlow, RL

Acta Crystallogr., Sect. B 1991, 47, 77-86.DOI:10.1107/S0108768190008850


68

Unexpected hydrogen-bonding in the crystal-structure of (4-chlorophenyl)propiolic acid – role of C–H…O hydrogen-bonds in determining O–H…O networks

Desiraju, GR; Murty, BN; Kishan, KVR

Chem. Mater. 1990, 2, 447-449.DOI:10.1021/cm00010a024


67

Structure of perhydrotriphenylene

Harlow, RL; Desiraju, GR

Acta Crystallogr., Sect. C 1990, 46, 1054-1055.DOI:10.1107/S0108270189010115


66

Organic-compounds and materials science

Desiraju, GR

Curr. Sci. 1990, 59, 452-455.


65

Structure of L-lanthionine

Desiraju, GR; Rao, DR

Acta Crystallogr., Sect. C 1990, 46, 627-629.DOI:10.1107/S0108270189008474


64

Strength and linearity of C–H=O bonds in molecular-crystals – A database study of some terminal alkynes

Desiraju, GR

J. Chem. Soc., Chem. Commun. 1990, 454-455DOI:10.1039/c39900000454

images


Publications 1989 – 1980


63

The nature of halogen… halogen interactions – are short halogen contacts due to specific attractive forces or due to close packing of nonspherical atoms

Desiraju, GR; Parthasarathy, R

J. Am. Chem. Soc. 1989, 111, 8725-8726.DOI:10.1021/ja00205a027


62

Structure of 4-phenylthiazole-2(3H)-thione (1) and bis(4-chlorophenacyl) disulfide (2), the product obtained on its gas-solid chlorination

Nalini, V; Desiraju, GR

Acta Crystallogr., Sect. C 1989, 45, 1525-1527.DOI:10.1107/S0108270189001319


61

Tautomerism in thiazolethiones, structure of 4-(3-nitrophenyl)thiazole-2(3H)-thione

Nalini, V; Desiraju, GR

Acta Crystallogr., Sect. C 1989, 45, 1528-1530.DOI:10.1107/S0108270189001307


60

Crystal-structures of polynuclear aromatic-hydrocarbons – classification, rationalization and prediction from molecular-structure

Desiraju, GR; Gavezzotti, A

Acta Crystallogr., Sect. B 1989, 45, 473-482.DOI:10.1107/S0108768189003794


59

Cyano-halogen interactions and their role in the crystal-structures of the 4-halobenzonitriles

Desiraju, GR; Harlow, RL

J. Am. Chem. Soc. 1989, 111, 6757-6764.DOI:10.1021/ja00199a040


58

Solid-state dimerization of beta-nitrostyrene – a disordered photoreactive crystal

Desiraju, GR; Pedireddi, VR

J. Chem. Soc., Chem. Commun. 1989, 1112-1113.DOI:10.1039/c39890001112


57

Clathrate compound of a new host material, 3-hydroxy-6-(4′-nitro)phenylazopyridine

Ramachandra, P; Krishna, SR; Desiraju, GR

Proc. Indian Acad. Sci., Chem. Sci. 1989,101, 327-334.


56

Crystal-chemistry of some (alkoxyphenyl)propiolic acids – the role of oxygen and hydrogen-atoms in determining stack structures of planar aromatic-compounds

Desiraju, GR; Kishan, KVR

J. Am. Chem. Soc. 1989, 111, 4838-4843.DOI:10.1021/ja00195a040


55

From molecular to crystal-structure – polynuclear aromatic-hydrocarbons

Desiraju, GR; Gavezzotti, A

J. Chem. Soc., Chem. Commun. 1989, 621-623.DOI:10.1039/c39890000621


54

Distance dependence of C–H…O interactions in some chloroalkyl compounds

Desiraju, GR

J. Chem. Soc., Chem. Commun. 1989,179-180.DOI:10.1039/c39890000179


53

Crystal -structure and solid-state photoreactivity of 2,5-dibenzylidenecyclopent-3-ene-1-one and its tetrachloro derivative

Desiraju, GR; Bernstein, J; Kishan, KVR; Sarma, JARP

Tetrahedron Lett. 1989,30, 3029-3032.DOI:10.1016/S0040-4039(00)99394-8


52

A convenient preparation of substituted 2,5-dibenzylidenecyclopent-3-en-1-ones

Desiraju, GR; Kishan, KVR

Indian J. Chem., Sect B 1988, 27, 953-954


51

A systematic analysis of packing energies and other packing parameters for fused-ring aromatic-hydrocarbons

Gavezzotti, A; Desiraju, GR

Acta Crystallogr., Sect. B 1988, 44, 427-434.DOI:10.1107/S0108768188001600


50

Structure of (4sr,6ars)-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4,5,6,6a-tetrahydro5,5,6a-trimethyl-2(1h)-pentalenone

Nalini, V; Desiraju, GR

Acta Crystallogr., Sect. C 1988, 44, 510-512.DOI:10.1107/S0108270187010916


49

Structure of 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid (ferulic acid)

Nethaji, M; Pattabhi, V; Desiraju, GR

Acta Crystallogr., Sect. C 1988, 44, 275-277.DOI:10.1107/S0108270187009211


48

Non-centrosymmetry in organic-crystals – a study of molecular-conformation in some substituted tolans

Desiraju, GR; Krishna, TSR

J. Chem. Soc., Chem. Commun. 1988, 192-194.DOI:10.1039/c39880000192


47

Prediction of non-centrosymmetric packing for 1,3-disubstituted nitro aromatics – crystal and molecular-structure of 3-hydroxy-6-(3′-nitro)-phenylazopyridine

Desiraju, GR; Krishna, TSR

Mol. Cryst. Liq. Cryst.1988, 159, 277-287.DOI:10.1080/00268948808075278


46

Structure and photochemical reactivity of some chlorocinnamic acid molecular-complexes

Desiraju, GR

Izvestiya Sibirskogo Otdeleniya Akademii Nauk Sssr Seriya Khimicheskikh Nauk 1987,15-21.


45

Crystal engineering. A solid-state Diels-Alder reaction

Kishan, KVR; Desiraju, GR

J. Org. Chem.1987,52, 4640-4641.


44

Mixed-crystals of 6-chloro-3,4-methylenedioxycinnamic acid with 2,4-dichlorocinnamic and 3,4-dichlorocinnamic acids – structure, topochemistry, and intermolecular interactions

Sarma, JARP; Desiraju, GR

J. Chem. Soc., Perkin Trans. 2 1987,9, 1187-1193.DOI:10.1039/p29870001187


43

C−H…O interactions and the adoption of 4-a short-axis crystal-structures by oxygenated aromatic-compounds

Sarma, JARP; Desiraju, GR

J. Chem. Soc., Perkin Trans. 2 1987,1195-1202.DOI:10.1039/p29870001195


42

Correlation between crystallographic and spectroscopic properties for C−H…O bonds in terminal acetylenes

Desiraju, GR; Murty, BN

Chem. Phys. Lett. 1987,139, 360-361.DOI:10.1016/0009-2614(87)80572-9


41

Gas solid chlorination of 4-phenylthiazole-2(1H)-thione

Nalini, V; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1987,1046-1048.DOI:10.1039/c39870001046


40

Structure of 3,4-dihydroxy-trans-cinnamic acid (caffeic acid) and its lack of solid-state topochemical reactivity

Garciagranda, S; Beurskens, G; Beurskens, PT; Krishna, TSR; Desiraju, GR

Acta Crystallogr., Sect. C 1987, 43, 683-685.DOI:10.1107/S0108270187094526


39

Crystal engineering a solid-state Diels-Alder reaction

Desiraju, GR

Curr. Sci. 1987,56,168-168.


38

Crystal engineering through nonbonded contacts to sulfur – structure and solid-state photoreactivity of 4-(4′-chloro)-phenyl-delta-4-thiazolene-2-thione

Nalini, V; Desiraju, GR

Tetrahedron. 1987,43, 1313-1320.DOI:10.1016/S0040-4020(01)90252-2


37

Designing organic-crystals

Desiraju, GR

Proc. Sol. State Chem.1987,17,295-353.DOI:10.1016/0079-6786(87)90005-7


36

Dipole-dipole interactions and the inversion motif in the crystal-structures of planar chloro aromatics – the unusual packings of 1,2,3-trichlorobenzene and 1,2,3,7,8,9-hexachlorodibenzo-p-dioxin

Desiraju, GR; Sarma, JARP; Krishna, TSR

Chem. Phys. Lett. 1986,131, 124-128.DOI:10.1016/0009-2614(86)80529-2


35

Interstack and intrastack forces in molecular-solids – a new look at donor-acceptor complexes and organic metals

Desiraju, GR

Curr. Sci.1986,55, 1009-1012.


34

Hydrogen-bonding and phase-transitions in pentachlorophenol hexachlorobenzene solid-solutions

Masood, MA; Desiraju, GR

Chem. Phys. Lett. 1986,130,199-202DOI:10.1016/0009-2614(86)80454-7


33

Structure of 3-hydroxy-6-(4′-methyl)phenylazopyridine

Krishna, TSR; Desiraju, GR

Acta Crystallogr., Sect. C 1986, 42, 1246-1248.DOI:10.1107/S0108270186092727


32

The role of Cl…Cl and C−H…O interactions in the crystal engineering of 4-a short-axis structures

Sarma, JARP; Desiraju, GR

Acc. Chem. Res. 1986,19, 222-228.DOI:10.1021/ar00127a005


31

The role of nonbonded interactions involving sulfur in the crystal engineering of 4a short axis structures – unusual topochemical reactivity of 4-(4-chlorophenyl)thiazole-2(1h)-thione

Nalini, V; Desiraju, GR

J. Chem. Soc., Chem. Commun. 1986, 1030-1032.DOI:10.1039/c39860001030


30

Molecular discrimination in the formation of mixed-crystals of some substituted chlorocinnamic acids

Sarma, JARP; Desiraju, GR

J. Am. Chem. Soc. 1986, 108, 2791-2793.DOI:10.1021/ja00270a069


29

The chloro-methyl exchange rule and its violations in the packing of organic molecular-solids

Desiraju, GR; Sarma, JARP

Proc. Indian Acad. Sci., Chem. Sci. 1986,96,99-605.


28

What is the maximum yield in the solid-state cinnamic acid dimerization – a combinatorial mathematical approach

Desiraju, GR; Kannan, V

Proc. Indian Acad. Sci., Chem. Sci. 1986,96,351-362.


27

Some chemical implications of database derived crystallographic information

Desiraju, GR

Indian J. Chem, Sect. B 1986,25,1-8.


26

Recent studies on the formation and properties of quinhydrone complexes

Patil, AO; Pennington, WT; Desiraju, GR; Curtin, DY; Paul, IC

Mol. Cryst. Liq. Cryst. 1986,134,279-304.DOI:10.1080/00268948608079591


25

The novel 1-1 donor-acceptor complex, 3,4-dimethoxycinnamic acid-2,4-dinitrocinnamic acid – crystal engineering, structure, and anomalous lack of solid-state topochemical reactivity

Sarma, JARP; Desiraju, GR

J. Chem. Soc., Perkin Trans. 2 1985, 1905-1912.DOI:10.1039/p29850001905


24

Organic-chemistry in crystalline solids

Desiraju, GR

Umschau 1985, 85, 413-417.


23

Determination of an organic-crystal structure with the aid of topochemical and related considerations – correlation of the molecular and crystal-structures of alpha-benzylidene-gamma-butyrolactone and 2-benzylidenecyclopentanone with their solid-state photoreactivity

Kearsley, SK; Desiraju, GR

Proc. R. Soc. London, A 1985,397,157DOI:10.1098/rspa.1985.0009


22

The chloro-substituent as a steering group – a comparative-study of non-bonded interactions and hydrogen-bonding in crystalline chloro-aromatics

Sarma, JARP; Desiraju, GR

Chem. Phys. Lett. 1985,117, 160-164.DOI:10.1016/0009-2614(85)85227-1


21

Organic-solid state chemistry – some perspectives

Desiraju, GR

Proc. Indian Acad. Sci., Chem. Sci. 1984,93, 407-419.


20

Carrying out organic-chemistry within crystalline solids

Desiraju, GR

Endeavour 1984, 8, 201-206.DOI:10.1016/0160-9327(84)90085-1


19

Steering groups and intermolecular interactions in crystal engineering

Sarma, JARP; Desiraju, GR

Acta Crystallogr., Sect. A 1984, 40, C95-C95


18

An NMR method to distinguish between truxinic and truxillic dimers of some trans-cinnamic acids

Sarma, JARP; Desiraju, GR

Indian J. Chem., Sect. B 1984,23, 658-659


17

An Investigation into the role of chloro-substituents in hydrogen-bonded crystals – the crystal-structures of the dichlorophenols

Thomas, NW; Desiraju, GR

Chem. Phys. Lett. 1984, 99-102.DOI:10.1016/0009-2614(84)80154-2


16

The use of mixed-crystals for engineering organic solid-state reactions – application to benzylbenzylidenecyclopentanones

Theocharis, CR; Desiraju, GR; Jones, W

J. Am. Chem. Soc. 1984, 106, 3606-3609.DOI:10.1021/ja00324a032


15

Crystal engineering via Cl…Cl non-bonded interactions – the novel 2-1 complex, 6-chloro-3,4-(methylenedioxy)cinnamic acid-2,4-dichlorocinnamic acid – topochemical conversion into an unsymmetrical cyclobutane and kinetics of the reaction

Sarma, JARP; Desiraju, GR

J. Chem. Soc., Chem. Commun.1984, 145-147.DOI:10.1039/c39840000145,


14

Crystal engineering via non-bonded interactions involving oxygen – x-ray crystal-structures of 3,4-methylenedioxycinnamic acid and 3,4-dimethoxycinnamic acid

Desiraju, GR; Kamala, R; Kumari, BH; Sarma, JARP

J. Chem. Soc., Perkin Trans. 21984,181-189.DOI:10.1039/p29840000181


13

6-chloro-1-methyl-4-phenyl-1h-2,1,3-benzothiadiazine 2,2-dioxide, C14H11ClN2O2S

Desiraju, GR ; Kamala, R

Acta Crystallogr., Sect. C 1983, 39, 358-360.DOI:10.1107/S0108270183004710


12

Structural mimicry and the photoreactivity of organic-solids

Jones, W; Theocharis, CR; Thomas, JM; Desiraju, GR

J. Chem. Soc., Chem. Commun.1983, 1443-1444.DOI:10.1039/c39830001443


11

Crystal engineering via donor-acceptor interactions – x-ray crystal-structure and solid-state reactivity of the 1-1 complex 3,4-dimethoxycinnamic acid 2,4-dinitrocinnamic acid

Desiraju, GR; Sarma, JARP

J. Chem. Soc., Chem. Commun. 1983, 45-46.DOI:10.1039/c39830000045


10

Intermolecular proton transfers in the solid-state – conversion of the hydroxyazo into the quinone hydrazone tautomer of 2-amino-3-hydroxy-6-phenylazopyridine – x-ray crystal-structures of the 2 forms

Desiraju, GR

J. Chem. Soc., Perkin Trans. 2 1983,1025-1030.DOI:10.1039/p29830001025


9

A mild transformation of gamma-FeOOH to gamma-Fe2O3 using organic-reagents

Desiraju, GR; Rao, M

Mater. Res. Bullet.1982,17, 443-449DOI:10.


8

Organic-reactions in inorganic matrices – oxidation of hydroquinone to para-benzoquinone on solid MoO3 surfaces

Desiraju, GR; Shastry, BP

Proc. Indian Acad. Sci-Chem. Sci. 1981,90, 243-246.


7

Phase-transitions in solid hydrogen-bonded para-chlorobenzamide, para-nitrophenol and an azo dye

Ganguly, S; Desiraju, GR

Indian J. Chem., Sect. A 1981, 20, 80-81.


6

Phase-transition in malonic-acid – infrared study

Ganguly, S; Fernandes, JR; Desiraju, GR; Rao, CNR

Chem. Phys. Lett., 1980,69, 227-229.DOI:10.1016/0009-2614(80)85052-4

images


Publications 1979 – 1977


5

Structural studies of 1-1 quinone-hydroquinone complexes

Desiraju, GR; Curtin, DY; Paul, IC

Mol. Cryst.Liq. Cryst. 1979,52, 563-570.


4

Resonance interactions in metal-chelates of o-hydroxyazo compounds – crystal-growth, structure, and spectra of 1-(2-pyridylazo)-2-naphtholatochlorocopper(II)

Desiraju, GR; Luss, HR; Smith, DL

J. Am. Chem. Soc. 1978, 100, 6375-6382.DOI:10.1021/ja00488a016


3

Conversion in solid-state of yellow to red form of 2-(4′-methoxyphenyl)-1,4-benzoquinone-X-ray crystal-structures and anisotropy of rearrangement

Desiraju, GR; Curtin, DY; Paul, IC

J. Am. Chem. Soc. 1977, 99, 1594-1601.DOI:10.1021/ja00447a051


2

Crystal-growth by non-aqueous gel-diffusion

Desiraju, GR; Curtin, DY; Paul, IC

J. Am. Chem. Soc. 1977, 99, 6148-6148.DOI:10.1021/ja00460a075


1

Synthesis and interconversion by hydrogen exchange of isomeric quinhydrones

Desiraju, GR; Curtin, DY; Paul, IC

J. Org. Chem. 1977, 42, 4071-4075.DOI:10.1021/jo00445a018

images


Powered by WordPress | Designed by Elegant Themes