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3-(4-Methoxybenzyl)-1,5-benzo-thiazepin-4(5H)-one.

ABSTRACT: In the title compound, C17H15NO2S, the thia-zepine ring adopts a slightly distorted twist-boat conformation. The dihedral angle between the mean plane of the benzo-thia-zepin ring system and the benzene ring is 65.7?(1)°. In the crystal, pairs of N-H?O hydrogen bonds link inversion-related mol-ecules into dimers, generating R2 (2) (8) ring motifs. These dimers are further linked by C-H?? and ?-? inter-actions [inter-centroid distance between the benzene rings of the benzo-thia-zepine unit = 3.656?(3)?Å] into a three-dimensional supra-molecular network.

SUBMITTER: Selvakumar R

PROVIDER: S-EPMC3648230 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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3-(4-Methoxybenzyl)-1,5-benzo-thiazepin-4(5H)-one.

Selvakumar R R Bakthadoss M M Vijayakumar S S Murugavel S S

Acta crystallographica. Section E, Structure reports online 20130410 Pt 5

In the title compound, C17H15NO2S, the thia-zepine ring adopts a slightly distorted twist-boat conformation. The dihedral angle between the mean plane of the benzo-thia-zepin ring system and the benzene ring is 65.7 (1)°. In the crystal, pairs of N-H⋯O hydrogen bonds link inversion-related mol-ecules into dimers, generating R2 (2) (8) ring motifs. These dimers are further linked by C-H⋯π and π-π inter-actions [inter-centroid distance between the benzene rings of the benzo-thia-zepine unit = 3.65 ...[more]

PMID: 23723850

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