Synthesis, Crystal Structure and Hirshfeld Surface Analysis of 3-(4,4-dimethyl-2,3,4,5-tetra-hydro-1-1,5-benzodiazepin-2-yl-idene)-6-methyl-3,4-di-hydro-2-pyran-2,4-dione

Overview

Journal Acta Crystallogr E Crystallogr Commun

Date 2019 Feb 26

PMID 30800456

Authors

Mohamed Samba

Mohamed Said Minnih

Tuncer Hokelek

Manpreet Kaur

Jerry P Jasinski

Nada Kheira Sebbar

El Mokhtar Essassi

Affiliations

Soon will be listed here.

Abstract

The title compound, CHNO, is constructed from a benzodiazepine ring system linked to a pendant di-hydro-pyran ring, where the benzene and pendant di-hydro-pyran rings are oriented at a dihedral angle of 15.14 (4)°. Intra-molecular N-H⋯O and C-H⋯O (Diazp = diazepine and Dhydp = di-hydro-pyran) hydrogen bonds link the seven-membered diazepine ring to the pendant di-hydro-pyran ring, enclosing (6) ring motifs. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into infinite chains along [10]. These chains are further linked C-H⋯O, C-H⋯O and C-H⋯O (Bnz = benzene and Mth = meth-yl) hydrogen bonds, forming a three-dimensional network. The observed weak C-H ⋯ π inter-action may further stabilize the structure. Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (51.1%), H⋯C/C⋯H (25.3%) and H⋯O/O⋯H (20.3%) inter-actions. Hydrogen bonding and van der Waals inter-actions are the dominant inter-actions in the crystal packing.

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