Open Access(4Z)-1-Benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
Author(s) -
Mohamed Samba,
Mohamed Said Minnih,
Youssef Ramli,
Y. Ouzidan,
El Mokhtar Essassi,
Joel T. Mague
Publication year - 2016
Publication title -
iucrdata
Language(s) - English
Resource type - Journals
ISSN - 2414-3146
DOI - 10.1107/s2414314616014486
Subject(s) - chemistry , molecule , hydrogen bond , ring (chemistry) , crystal structure , group (periodic table) , stereochemistry , crystallography , unit (ring theory) , mathematics education , mathematics , organic chemistry
The title compound, C19H18N2O2, crystallizes with two independent molecules in the asymmetric unit which differ in conformation. The seven-membered ring adopts a `bowl' conformation with the benzyl group oriented away from the open face in one molecule, while the benzyl group is oriented towards the open face in the other. The benzyl group of one independent molecule is disordered over two sets of sites with refined site-occupancy factors of 0.454 (8) and 0.546 (8). The two molecules are linked via C—H...O hydrogen bonds and centrosymmetrically related pairs of molecules form dimers through C—H...O hydrogen bonds, packing in rows parallel to the c axis