Publications 2022
452
Synthetic strategies towards higher cocrystals of some resorcinols
Roy, S; Gaur, R; Paul, M; Rajkumar, M and Desiraju GR
Cryst. Growth Des. 2022, 22, 12, 7578-7589 (Article)
451
Heterosynthons, Solid Form Design and Enhanced Drug Bioavailability
Nangia, A. K. and Desiraju, G. R.
450
Crystal engineering in IUCrJ 2021: interactions, structures, properties
Desiraju, G. R.
Publications 2021
449
Cocrystal hydrate of Bandrowski’s base and clotrimazole: a prospective ingredient for hair dye formulations
Dhir, A; Rajkumar, M. and Desiraju, G. R,
448
Reply to the ‘Comment on “Trimorphs of 4-Bromophenyl 4-Bromobenzoate. Elastic, Brittle, Plastic”’
Saha, S.; Desiraju, G. R.
447
Synthetic Approaches to Halogen Bonded Ternary Cocrystals
Jain, H.; Sutradhar, D.; Roy, S.; Desiraju, G. R.
446
Quaternary and Quinary Molecular Solids Based on Structural Inequivalence and Computational Approaches: 2-Nitroresorcinol and 4,6-Dichlororesorcinol
Madhu, R.; Desiraju, G. R.
445
Crystal Engineering in IUCrJ: From ‘the’ Crystal Structure to ‘a’ Crystal Structure
Desiraju, G. R.
Publications 2020
444
Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.
Maity, D. K.; Paul, R. K.; Desiraju, G. R.
443
Assessing Research: The Slippery Slope
Patwardhan, B.; Desiraju, G. R.
442
Strong and Weak Hydrogen Bonds in Protein–Ligand Recognition
Gopalakrishan, B.; Desiraju, G. R.
Publications 2019
441
Science and Society. What Do They Owe Each Other?
Desiraju, G. R
Angew. Chem. Int. Ed, 2019, 58, 3232-3234. DOI: 10.1002/anie.201813798
440
Definition of the chalcogen bond (IUPAC Recommendations 2019)
Aakeroy,C. B.; Bryce, D. L.; Desiraju,G. R.; Frontera, A.; Legon, A. C; Nicotra, F.; Rissanen, K.; Scheiner, S.; Terraneo, G.; Metrangolo, P.; Resnati, G.
Pure Appl. Chem. 2019, 91, 1889–1892. DOI: 10.1515/pac-2018-0713
439
Co-crystals.Preparation, Characterization and Applications.
Desiraju, G. R.
438
The Hydrogen Bond. A Bond for Life
Desiraju, G. R.
Crystallogr. Rev. 2019, pp 124, ISBN 978-3-11-062794-7. DOI:10.1080/0889311X.2019.1667338
437
A smorgasbord of halogen bonds?
Desiraju, G. R.
Acta Crystallogr. Sect. C 2019, 75, 1188–1189. DOI: 10.1107/S2053229619011781
436
From a Binary to a Quaternary Cocrystal: An Unusual Supramolecular Synthon
Paul, M.; Desiraju, G. R.
Angew. Chem., Int. Ed. 2019, 58, 12027–12031. DOI: 10.1002/anie.201904339
435
Strategy and Methodology in the Synthesis of Multicomponent Molecular Solids: The Quest for Higher Cocrystals
Mir, N. A.; Dubey, R.; Desiraju, G. R
434
Crystal Engineering: An Outlook for the Future
Nangia, A. K.; Desiraju, G. R.
Publications 2018
433
Crystal engineering, crystals and crystallography
Desiraju, G. R.
432
From Molecules to Interactions to Crystal Engineering: Mechanical Properties of Organic Solids
Saha, S.; Mishra, M. K.; Reddy, C. M.; Desiraju, G. R.
431
Probing the Crystal Structure Landscape by Doping: 4‐Bromo, 4‐Chloro, and 4‐Methylcinnamic Acids
Chakraborty, S; Joseph, S; Desiraju, GR
430
Trimorphs of 4-Bromophenyl 4-bromobenzoate. Elastic, Brittle, Plastic
Saha, S; Desiraju, GR
429
Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering
Saha, S; Desiraju, GR
428
C–H···F Hydrogen Bonds in Solid Solutions of Benzoic Acid and 4-Fluorobenzoic Acid
Chakraborty, S; Desiraju, GR
427
Exploring the Structural Landscape with ‘Partial’ Fluoro-substitution as a Probe
Chakraborty, S; Desiraju, GR
426
Six-Component Molecular Solids: ABC[D1–(x+y)ExFy]2
Paul, M; Chakraborty, S; Desiraju, GR
Publications 2017
425
Crystal engineering: structure, property and beyond
Desiraju, GR
424
Approaches to Crystal Structure Landscape Exploration
Desiraju, GR
423
Hand-Twisted Helical Crystal Based Solely on Hydrogen Bonding
Saha, S; Desiraju, GR
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
421
Salts and Cocrystals of Antidiabetic Drugs, Gliclazide, Tolbutamide and Glipizide: Solubility Enhancements through Drug−Coformer Interactions
Samie, A; Desiraju, GR; Banik, M
420
σ-hole and π-hole Synthon Mimicry in Third Generation Crystal Engineering. Design of Elastic Crystals
Saha, S; Desiraju, GR
419
Crystal Engineering of Hand-Twisted Helical Crystals
Saha, S; Desiraju, GR
418
New Cocrystals of Hydrochlorothiazide: Optimizing Solubility and Membrane Diffusivity
Gopi, SP; Banik, M; Desiraju,GR
417
Looking at Aniline-Phenol Recognition in Molecular Crystals: An Evergreen Endeavour
Sood, A; Desiraju, GR
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
415
Use of the Term “Crystal Engineering” in the Regulatory and Patent Literature of Pharmaceutical Solid Forms. Some Comments
Desiraju, GR; Nangia, A
414
Cocrystal and Salt Forms of Furosemide: Solubility and Diffusion Variations
Banik, M; Gopi, SP; Ganguly, S; Desiraju GR
413
Using Structural Modularity in Cocrystals to Engineer Properties: Elasticity
Saha, S; Desiraju, GR
412
Mechanical Property Design of Molecular Solids
Mishra, MK; Ramamurty, U; Desiraju, GR
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
410
Four- and Five-Component Molecular Solids: Crystal Engineering Strategies Based on Structural Inequivalence
Mir, NA; Dubey, R.; Desiraju, GR
409
Quaternary Cocrystals: Combinatorial Synthetic Strategies Based on Long-Range Synthon Aufbau Modules (LSAM)
Dubey, R.; Mir, NA; Desiraju, GR
Publications 2015
408
Combinatorial Crystal Synthesis of Ternary Solids Based on 2-Methylresorcinol
Mir, NA; Dubey, R; Tothadi, S; Desiraju, GR
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
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
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
404
Combinatorial Selection of Molecular Conformations and Supramolecular Synthons in Quercetin Cocrystal Landscapes: A Route to Ternary Solids
Dubey, R.; Desiraju, GR
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
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
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
399
Intermolecular Atom–Atom Bonds in Crystals – A Chemical Perspective
Thakur, TS; Dubey, R; Desiraju, GR
398
Solid Solution Hardening of Molecular Crystals: Tautomeric Polymorphs of Omeprazole
Mishra, MK; Ramamurty, U; Desiraju, GR
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
396
Designing Elastic Organic Crystals: Highly Flexible Polyhalogenated N-Benzylideneanilines
Ghosh, S; Mishra, MK; Kadambi, SB; Ramamurty, U; Desiraju, GR
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
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
CrystEngComm2014 , 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
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
CrystEngComm2013, 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
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
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
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
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
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
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
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
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