(Z)-3-(4-Chloro­benz­yl)-1,5-benzothia­zepin-4(5H)-one

In the title compound, C(16)H(12)ClNOS, the seven-membered thia­zepine ring adopts a distorted twisted boat conformation. The dihedral angle between the least-squares planes of the 1,5-benzothia­zepine ring system and the benzene ring is 50.2 (1)°. In the crystal, pairs of N—H⋯O hydrogen bonds link...

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Detalles Bibliográficos
Autores principales: Lakshmanan, D., Murugavel, S., Selvakumar, R., Bakthadoss, M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393941/
https://www.ncbi.nlm.nih.gov/pubmed/22798806
http://dx.doi.org/10.1107/S1600536812026608
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author Lakshmanan, D.
Murugavel, S.
Selvakumar, R.
Bakthadoss, M.
author_facet Lakshmanan, D.
Murugavel, S.
Selvakumar, R.
Bakthadoss, M.
author_sort Lakshmanan, D.
collection PubMed
description In the title compound, C(16)H(12)ClNOS, the seven-membered thia­zepine ring adopts a distorted twisted boat conformation. The dihedral angle between the least-squares planes of the 1,5-benzothia­zepine ring system and the benzene ring is 50.2 (1)°. In the crystal, pairs of N—H⋯O hydrogen bonds link centrosymmetrically related mol­ecules into dimers, generating R (2) (2)(8) ring motifs. The crystal packing is further stabilized by π–π inter­actions [centroid–centroid distance = 3.763 (2) Å].
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spelling pubmed-33939412012-07-13 (Z)-3-(4-Chloro­benz­yl)-1,5-benzothia­zepin-4(5H)-one Lakshmanan, D. Murugavel, S. Selvakumar, R. Bakthadoss, M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(12)ClNOS, the seven-membered thia­zepine ring adopts a distorted twisted boat conformation. The dihedral angle between the least-squares planes of the 1,5-benzothia­zepine ring system and the benzene ring is 50.2 (1)°. In the crystal, pairs of N—H⋯O hydrogen bonds link centrosymmetrically related mol­ecules into dimers, generating R (2) (2)(8) ring motifs. The crystal packing is further stabilized by π–π inter­actions [centroid–centroid distance = 3.763 (2) Å]. International Union of Crystallography 2012-06-16 /pmc/articles/PMC3393941/ /pubmed/22798806 http://dx.doi.org/10.1107/S1600536812026608 Text en © Lakshmanan et al. 2012 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
Lakshmanan, D.
Murugavel, S.
Selvakumar, R.
Bakthadoss, M.
(Z)-3-(4-Chloro­benz­yl)-1,5-benzothia­zepin-4(5H)-one
title (Z)-3-(4-Chloro­benz­yl)-1,5-benzothia­zepin-4(5H)-one
title_full (Z)-3-(4-Chloro­benz­yl)-1,5-benzothia­zepin-4(5H)-one
title_fullStr (Z)-3-(4-Chloro­benz­yl)-1,5-benzothia­zepin-4(5H)-one
title_full_unstemmed (Z)-3-(4-Chloro­benz­yl)-1,5-benzothia­zepin-4(5H)-one
title_short (Z)-3-(4-Chloro­benz­yl)-1,5-benzothia­zepin-4(5H)-one
title_sort (z)-3-(4-chloro­benz­yl)-1,5-benzothia­zepin-4(5h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393941/
https://www.ncbi.nlm.nih.gov/pubmed/22798806
http://dx.doi.org/10.1107/S1600536812026608
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AT bakthadossm z34chlorobenzyl15benzothiazepin45hone

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