1-{[2-氧代-3-(1-丙烯-2-基)-2,3-二氢-1H-1,3-苯并二氮杂卓-1-基]甲基}-3-(1-丙烯-2-基)-2,3-二氢-1H-1,3-苯并二氮杂卓-2-酮的晶体结构和 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2,3-di-hydro-1-1,3-benzo-diazol-1-yl]meth-yl}-3-(prop-1-en-2-yl)-2,3-di-hydro-1-1,3-benzo-diazol-2-one.

作者信息

Saber Asmaa, Sebbar Nada Kheira, Hökelek Tuncer, Hni Brahim, Mague Joel T, Essassi El Mokhtar

机构信息

Laboratoire de Chimie Organique Hétérocyclique URAC 21, Pôle de Compétence Pharmacochimie, Av. Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, Morocco.

Laboratoire de Chimie Bioorganique Appliquée, Faculté des Sciences, Université Ibn Zohr, Agadir, Morocco.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Nov 9;74(Pt 12):1746-1750. doi: 10.1107/S2056989018015219. eCollection 2018 Dec 1.

In the title compound, CHNO, the intra-molecular C-H⋯O hydrogen-bonded benzo-diazo-lone moieties are planar to within 0.017 (1) and 0.026 (1) Å, and are oriented at a dihedral angle of 57.35 (3)°. In the crystal, two sets of inter-molecular C-H⋯O hydrogen bonds generate layers parallel to the plane. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (51.8%), H⋯C/C⋯H (30.7%) and H⋯O/O⋯H (11.2%) inter-actions.