Strong and weak hydrogen bonds in protein–ligand recognition

G Bulusu, GR Desiraju - Journal of the Indian Institute of Science, 2020‏ - Springer
The hydrogen bond has justifiably been termed the 'master key of molecular recognition'. It is
an interaction that is weaker than the covalent bond and stronger than the van der Waals …

Co-crystal synthesis: fact, fancy, and great expectations

CA Gunawardana, CB Aakeröy - Chemical Communications, 2018‏ - pubs.rsc.org
From discrete and dispersed to condensed and organized, directed assembly provides a
link between molecular structure and macroscopic properties. If we are able to combine …

Six-Component Molecular Solids: ABC[D1–(x+y)ExFy]2

M Paul, S Chakraborty, GR Desiraju - Journal of the American …, 2018‏ - ACS Publications
A strategy has been developed to achieve six-component molecular solids. The first part of
the protocol involves the design and development of a family of stoichiometric quaternary …

[HTML][HTML] Four-and five-component molecular solids: crystal engineering strategies based on structural inequivalence

NA Mir, R Dubey, GR Desiraju - IUCrJ, 2016‏ - journals.iucr.org
A synthetic strategy is described for the co-crystallization of four-and five-component
molecular crystals, based on the fact that if any particular chemical constituent of a lower …

New Solid State Forms of the Anti-HIV Drug Efavirenz. Conformational Flexibility and High Z′ Issues

S Mahapatra, TS Thakur, S Joseph… - Crystal growth & …, 2010‏ - ACS Publications
Structural information on the solid forms of efavirenz, a non-nucleoside reverse transcriptase
inhibitor, is limited, although various polymorphic forms of this drug have been patented. We …

Pharmaceutical co-crystals: A new paradigm of crystal engineering

AA Najar, Y Azim - Journal of the Indian Institute of Science, 2014‏ - journal.iisc.ac.in
A review on pharmaceutical co-crystals, nutraceutical co-crystals and pharmaceutical co-
crystal polymorphs depicting their relevance both in academia and pharmaceutical industry …

Multicomponent Solvate Crystals of 3, 5-Dinitrobenzoic Acid and Acetamide and CSD Analysis of Solvates

TR Shaikh, N Shelke, S Tothadi - ACS omega, 2023‏ - ACS Publications
Twelve multicomponent solvate crystals (cocrystal solvates) of 3, 5-dinitrobenzoic acid and
acetamide were synthesized via slow evaporation method. All crystalline materials were …

C–H··· F hydrogen bonds in solid solutions of benzoic acid and 4-fluorobenzoic acid

S Chakraborty, GR Desiraju - Crystal Growth & Design, 2018‏ - ACS Publications
Solid solutions (SS) of benzoic acid (BA) and 4-fluorobenzoic acid (4FBA) are monitored
with respect to increasing fluorine content. All 10 SS studied take a crystal structure that is …

Crystal engineering and charge density study of pharmaceutical nonlinear optical material: melamine-barbital co-crystal

M Gryl, S Cenedese, K Stadnicka - The Journal of Physical …, 2015‏ - ACS Publications
This paper presents topological analysis of charge density from multipolar refinement and
ab initio calculations for both melamine-barbital co-crystal and isolated molecules. The …

Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals

R Dandela, S Tothadi, UK Marelli, A Nangia - IUCrJ, 2018‏ - journals.iucr.org
The single-crystal X-ray structure of a 6-component organic-salt alloy (hexanary) of naftopidil
(1)(an active pharmaceutical ingredient) with benzoic acid (2) and four different hydroxy …