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

In the title compound, C(17)H(15)NO(2)S, 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 mol...

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Detalles Bibliográficos
Autores principales: Selvakumar, R., Bakthadoss, M., Vijayakumar, S., Murugavel, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648230/
https://www.ncbi.nlm.nih.gov/pubmed/23723850
http://dx.doi.org/10.1107/S1600536813009215
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author Selvakumar, R.
Bakthadoss, M.
Vijayakumar, S.
Murugavel, S.
author_facet Selvakumar, R.
Bakthadoss, M.
Vijayakumar, S.
Murugavel, S.
author_sort Selvakumar, R.
collection PubMed
description In the title compound, C(17)H(15)NO(2)S, 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 R(2)(2)(8) ring motifs. These dimers are further linked by C—H⋯π and π–π 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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spelling pubmed-36482302013-05-30 3-(4-Methoxybenzyl)-1,5-benzo­thiazepin-4(5H)-one Selvakumar, R. Bakthadoss, M. Vijayakumar, S. Murugavel, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(15)NO(2)S, 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 R(2)(2)(8) ring motifs. These dimers are further linked by C—H⋯π and π–π inter­actions [inter-centroid distance between the benzene rings of the benzo­thia­zepine unit = 3.656 (3) Å] into a three-dimensional supra­molecular network. International Union of Crystallography 2013-04-10 /pmc/articles/PMC3648230/ /pubmed/23723850 http://dx.doi.org/10.1107/S1600536813009215 Text en © Selvakumar et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Selvakumar, R.
Bakthadoss, M.
Vijayakumar, S.
Murugavel, S.
3-(4-Methoxybenzyl)-1,5-benzo­thiazepin-4(5H)-one
title 3-(4-Methoxybenzyl)-1,5-benzo­thiazepin-4(5H)-one
title_full 3-(4-Methoxybenzyl)-1,5-benzo­thiazepin-4(5H)-one
title_fullStr 3-(4-Methoxybenzyl)-1,5-benzo­thiazepin-4(5H)-one
title_full_unstemmed 3-(4-Methoxybenzyl)-1,5-benzo­thiazepin-4(5H)-one
title_short 3-(4-Methoxybenzyl)-1,5-benzo­thiazepin-4(5H)-one
title_sort 3-(4-methoxybenzyl)-1,5-benzo­thiazepin-4(5h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648230/
https://www.ncbi.nlm.nih.gov/pubmed/23723850
http://dx.doi.org/10.1107/S1600536813009215
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AT bakthadossm 34methoxybenzyl15benzothiazepin45hone
AT vijayakumars 34methoxybenzyl15benzothiazepin45hone
AT murugavels 34methoxybenzyl15benzothiazepin45hone

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