Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



sj5315 scheme

Acta Cryst. (2013). E69, o693    [ doi:10.1107/S1600536813009215 ]

3-(4-Methoxybenzyl)-1,5-benzothiazepin-4(5H)-one

R. Selvakumar, M. Bakthadoss, S. Vijayakumar and S. Murugavel

Abstract: In the title compound, C17H15NO2S, the thiazepine ring adopts a slightly distorted twist-boat conformation. The dihedral angle between the mean plane of the benzothiazepin ring system and the benzene ring is 65.7 (1)°. In the crystal, pairs of N-H...O hydrogen bonds link inversion-related molecules into dimers, generating R22(8) ring motifs. These dimers are further linked by C-H...[pi] and [pi]-[pi] interactions [inter-centroid distance between the benzene rings of the benzothiazepine unit = 3.656 (3) Å] into a three-dimensional supramolecular network.


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