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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...

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Autores principales: Bakthadoss, M., Selvakumar, R., Manikandan, N., Murugavel, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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