Crystal Structure and Hirshfeld Surface Analysis of a New Benzodiazepine Derivative: 4-Dichloromethyl-2,3-Dihydro-1 H-1,5-Benzodiazepin-2-one

Abstract

In the title compound, C<inf>10</inf>H<inf>8</inf>Cl<inf>2</inf>N<inf>2</inf>O, 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, molecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers with an R 2 2 (8) ring motif. The dimers are linked by C-H⋯π interactions, forming layers lying parallel to (10). The roles of the intermolecular interactions 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%) interactions. © Chkirate et al. 2019.