Crystal structure and Hirshfeld surface analysis of a new benzodiazepine derivative: 4-di-chloro-methyl-2,3-di-hydro-1-1,5-benzodiazepin-2-one.

Acta Crystallogr E Crystallogr Commun

Laboratory of Heterocyclic Organic Chemistry URAC 21, Pole of Competence Pharmacochemistry, Av Ibn Battouta, BP 1014, Faculty of Sciences, Mohammed V University, Rabat, Morocco.

Published: January 2019

In the title compound, CHClNO, the seven-membered diazepine ring adopts a boat-shaped conformation. The mean planes of the two rings of the benzodiazepine unit are inclined to each other by 22.05 (6)°. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an (8) ring motif. The dimers are linked by C-H⋯π inter-actions, forming layers lying parallel to (10). The roles of the inter-molecular inter-actions in the crystal packing were clarified using Hirshfeld surface analysis; the most important contributions are from Cl⋯H/H⋯Cl (30.5%) and H⋯H (22.5%) inter-actions.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6323885PMC
http://dx.doi.org/10.1107/S205698901801681XDOI Listing

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