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(Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
In the title compound, C(18)H(17)NO(3)S, the seven-membered thiazepine ring adopts a slightly distorted sofa conformation. The dihedral angle between the mean plane of the benzothiazepine ring system and the benzene ring is 5.9 (1)°. The molecular conformation is stabilized by an intramolecular...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629613/ https://www.ncbi.nlm.nih.gov/pubmed/23634100 http://dx.doi.org/10.1107/S1600536813007423 |
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author | Bakthadoss, M. Selvakumar, R. Manikandan, N. Murugavel, S. |
author_facet | Bakthadoss, M. Selvakumar, R. Manikandan, N. Murugavel, S. |
author_sort | Bakthadoss, M. |
collection | PubMed |
description | In the title compound, C(18)H(17)NO(3)S, the seven-membered thiazepine ring adopts a slightly distorted sofa conformation. The dihedral angle between the mean plane of the benzothiazepine ring system and the benzene ring is 5.9 (1)°. The molecular conformation is stabilized by an intramolecular C—H⋯S hydrogen bond, which generates an S(7) ring motif. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link inversion-related molecules into dimers, incorporating R (1) (2)(6) and R (2) (2)(8) ring motifs; the acceptor O atom is bifurcated. These dimers are further linked by C—H⋯O hydrogen bonds, forming supramolecular tapes running along the a axis. These are connected into the three-dimensional architecture by C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-3629613 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36296132013-04-30 (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one Bakthadoss, M. Selvakumar, R. Manikandan, N. Murugavel, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(18)H(17)NO(3)S, the seven-membered thiazepine ring adopts a slightly distorted sofa conformation. The dihedral angle between the mean plane of the benzothiazepine ring system and the benzene ring is 5.9 (1)°. The molecular conformation is stabilized by an intramolecular C—H⋯S hydrogen bond, which generates an S(7) ring motif. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link inversion-related molecules into dimers, incorporating R (1) (2)(6) and R (2) (2)(8) ring motifs; the acceptor O atom is bifurcated. These dimers are further linked by C—H⋯O hydrogen bonds, forming supramolecular tapes running along the a axis. These are connected into the three-dimensional architecture by C—H⋯π interactions. International Union of Crystallography 2013-03-23 /pmc/articles/PMC3629613/ /pubmed/23634100 http://dx.doi.org/10.1107/S1600536813007423 Text en © Bakthadoss 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 Bakthadoss, M. Selvakumar, R. Manikandan, N. Murugavel, S. (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
title | (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
title_full | (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
title_fullStr | (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
title_full_unstemmed | (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
title_short | (Z)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
title_sort | (z)-3-(3,4-dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629613/ https://www.ncbi.nlm.nih.gov/pubmed/23634100 http://dx.doi.org/10.1107/S1600536813007423 |
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