Andrei V. Churakov

TL;DR: The linear relationship between Gb and EHB is basis set superposition error (BSSE) free and allows to estimate the H‐bond energy without computing it by means of the supramolecular approach, and the Gb value can be recommended to be obtained from both density functional theory (DFT) computations with periodic boundary conditions and precise X‐ray diffraction experiments.

TL;DR: Crystal lattice energy calculations showed that the packing energy gain of the [DIC + THP] cocrystal is derived mainly from the dispersion energy, which dominates the structures of the cocrystals.

TL;DR: The quantum-topological analysis of the crystalline electron density enables us to describe quantitatively the H-bond network, which is much more complex in the title crystals than in a serine crystal.

TL;DR: New salts of antibiotic drug ciprofloxacin with pharmaceutically acceptable maleic (Mlt), fumaric (Fum) and adipic (Adp) acids were obtained and their crystal structures were determined.

TL;DR: The perchlorate of 2-{2-[4-(13-aza-1,4,7,10-tetroxa-13-cyclopentadecyl)phenyl]ethenyl}-3-ethylbenzothiazolium (3) has been synthesised and its structure determined in the crystalline state by X-ray diffraction and in solution in acetonitrile by 1H NMR methods as mentioned in this paper.