Anastasia V. Shishkina

TL;DR: In this article, a detailed description of noncovalent interactions of different types and strengths in the title crystal using a combined experimental and theoretical study of the charge density distribution is provided.

TL;DR: The structure, IR harmonic frequencies and intensities of normal vibrations of 20 molecular crystals with the X-Cl···Cl-X contacts of different types, and the obtained crystalline wave functions have been further used to define and describe quantitatively the Cl··· Cl interactions via the electron-density features at the Cl··Cl bond critical points.

TL;DR: The classical method of substance transfer by inert gas-carrier was chosen to investigate sublimation processes experimentally and the lattice energy is found to be 143 ± 4 kJ/mol, lower than the sum of the corresponding values of the cocrystal pure components.

TL;DR: A detailed description of the ability of halogen bonding to control recognition, self-organization, and self-assembly in I2 crystal, combining low-temperature X-ray diffraction experiments and theoretical DFT-D and MP2 studies of charge density, is reported in this article.

TL;DR: It was proved that PASA cocrystallization with 4-OHBZA makes the drug more stable and prevents the irreversible process of decarboxylation of PAS a resulting in formation of toxic 3-aminophenol.