Halogen bonds, chalcogen bonds, pnictogen bonds, tetrel bonds and other σ-hole inter­actions: a snapshot of current progress

A com­pilation of review articles on σ-hole inter­actions published since 2013 is presented alongside an overview of the 11 articles in the special issue on this topic.

Crystal structures, Hirshfeld analysis, and energy framework analysis of two differently 3′-sub­sti­tuted 4-methylchal­cones: 3′-(N=CHC₆H₄-p-CH₃)-4-methyl­chal­cone and 3′-(NHCOCH₃)-4-methylchal­cone

The structures for 3′-(N=CHC₆H₄-p-CH₃)-4-methyl­chal­cone and 3′-(NHCOCH₃)-4-methyl­chal­cone are the first reported structures containing their respective 3′-substituents.

Synthesis of 5-(aryl­methyl­idene­amino)-4-(1H-benzo[d]imidazol-1-yl)py­rimi­dine hybrids: synthetic sequence and the mol­ecular and supra­molecular structures of two inter­mediates and three final products

A versatile synthesis is reported for 5-(aryl­methyl­idene­amino)-4-(1H-benzo[d]imidazol-1-yl)py­rimi­dines and structures are reported for three examples, one of them in two crystal forms, as well as for two inter­mediates in the synthetic sequence. A diverse range of hydro­gen-bonding patterns leads to supra­molecular assemblies ranging from finite zero-dimensional aggregates to three-dimensional framework structures.

New cocrystals of heterocyclic drugs: structural, anti­leishmanial, larvicidal and urease inhibition studies

The current study demonstrates the cocrystallization of pyrazinamide with homophthalic acid employing the reflux method, and the cocrystallization of the commercially available heterocyclic drug carbamazepine with 5-chloro­salicylic acid, trans-cinnamic acid and nicotinamide. The synthesized cocrystals were characterized by FT–IR, PXRD and SC-XRD techniques, followed by thermal stability studies based on DSC and TGA analysis.

Preparation, spectroscopic, X-ray crystallographic, DFT, anti­microbial and ADMET studies of N-[(4-flourophen­yl)sulfan­yl]phthalimide

N-[(4-Fluorophenyl)sulfanyl]phthalimide (FP) was investigated via quantum chemical analysis. Theoretical calculations (DFT) were used to predict the chemical and biological activities, and druglikeness results indicate that FP has a good physicochemical profile. These results can be used for future studies on drug development. Moreover, since FP is close to the nontoxicology limit, experimental in vitro studies could further support its potential as a drug candidate.

Tb_2–xNd_xZn_17–yNi_y (x = 0.5, y = 4.83): a new inter­metallic with a maximum disordered structure and its hydrogen storage properties

The crystal structure of the new inter­metallic Tb_2–xNd_xZn_17–yNi_y (x = 0.5, y = 4.83), with a maximum disordered structure, has been determined by single-crystal X-ray diffraction. It represents the structure family based on the Th₂Zn₁₇ structure type.