Publications 2024
Definition of the pnictogen bond (IUPAC Recommendations 2023)
Resnati, D. L. Bryce, G. R. Desiraju, A. Frontera, I. Krossing, A. C. Legon, P. Metrangolo, F. Nicotra, K. Rissanen, S. Scheiner and G. Terraneo
Pure Appl. Chem., 96, 000-000, 2024 (accepted)
https://doi.org/10.1515/pac-2020-1002
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