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The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section E: Crystallographic Communications.
See also Forthcoming articles in all IUCr journals.
research communications (GO)Crystal structure of 1-amino-3-(4-chlorophenyl)-2-cyano-3H-benzo[4,5]thiazolo[3,2-a]pyridine-4-carboxamide
The tricyclic ring system of the title compound departs from planarity in the region of the sp3 carbon atom. The three-dimensional packing involves four classical hydrogen bonds and one N⋯Cl halogen bond.
research communications (GO)Crystal structure, Hirshfeld surface, DFT, molecular docking of 1-[(6-tert-butyl-2-oxo-2H-chromen-4-yl)methyl]-4,4-dimethylpiperidine-2,6-dione and cytotoxic effects on breast cancer (MDA-MB 231), human alveolar basal epithelial (A549) cell lines
The title compound was synthesized by SN2 reaction of bromomethyl coumarin with 4,4-dimethylpiperidine-2,6-dione. Its crystal structure was determined and a Hirshfeld surface analysis was performed along with DFT, molecular docking and biological activity studies.
research communications (GO)Crystal structure and Hirshfeld surface analyses, intermolecular interaction energies and energy frameworks of methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
The title compound contains pyran and phenyl rings, with the pyran ring in a flattened-boat conformation. In the crystal, intermolecular N—H⋯N hydrogen bonds link the molecules into centrosymmetric dimers, forming R22(12) ring motifs, which are linked by N—H⋯O hydrogen bonds into a three-dimensional architecture. In addition to van der Waals interactions and N—H⋯N and N—H⋯O hydrogen bonds, halogen bonds, tetrel bonds and pnictogen bonds also play an important role in the cohesion of the crystal structure.
