[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o564
[ doi:10.1107/S1600536813007435 ]

(Z)-3-(2,4-Dichlorobenzyl)-1,5-benzothiazepin-4(5H)-one

S. Murugavel, N. Manikandan, R. Selvakumar and M. Bakthadoss

Abstract: In the title compound, C16H11Cl2NOS, the seven-membered thiazepine ring adopts a distorted twist-boat conformation. The dihedral angle between the mean plane of the benzothiazepine ring system and the benzene ring is 78.6 (1)°. The molecular conformation is stabilized by a weak intramolecular C-H...Cl hydrogen bond, which generates an S(5) ring motif. In the crystal, pairs of N-H...O hydrogen bonds link inversion-related molecules into dimers, generating R22(8) ring motifs. The crystal packing also features alternating [pi]-[pi] interactions between benzothiazepine benzene rings [inter-centroid distance = 3.740 (3) Å] and dichlorobenzene rings [inter-centroid distance = 3.882 (3) Å] to consolidate a three-dimensional architecture.


Copyright © International Union of Crystallography
IUCr Webmaster