Crystal structure of (Z)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one

Crystal structure of (Z)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one

In the title compound, C17H15NO2S, the two C atoms linking the S and carbonyl C atoms of the seven-membered thiazepine ring are disordered over two sites, with occupancies of 0.511 (4) and 0.489 (4); both disorder components adopt distorted twist-boat conformations. In the crystal, N—H...O and C—H.....

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Bibliographic Details
Main Authors: V. Vinayagam, J. Mohan Raj, S. Murugavel, R. Selvakumar, M. Bakthadoss
Format: Article
Language:English
Published: International Union of Crystallography 2015-01-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
benzo[b][1,4]thiazepin-4(5H)-one
pharmaceutical properties
thiazepin derivatives
hydrogen bonding
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989014026267
Description
Summary:In the title compound, C17H15NO2S, the two C atoms linking the S and carbonyl C atoms of the seven-membered thiazepine ring are disordered over two sites, with occupancies of 0.511 (4) and 0.489 (4); both disorder components adopt distorted twist-boat conformations. In the crystal, N—H...O and C—H...O hydrogen bonds link inverted-related molecules into dimers, incorporating R12(6) and R22(8) ring motifs; the acceptor carbonyl O atom is bifurcated. These dimers are further linked by C—H...O hydrogen bonds, forming supramolecular tapes running along the a axis.
ISSN:2056-9890

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