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

In the title compound, C(18)H(17)NO(3)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 60.3 (1)°. In the crystal, mol­ecules are linked by two pairs of inversion-related...

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Autores principales: Selvakumar, R., Bakthadoss, M., Vijayakumar, S., 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/PMC3648241/
https://www.ncbi.nlm.nih.gov/pubmed/23723861
http://dx.doi.org/10.1107/S1600536813009598
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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(18)H(17)NO(3)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 60.3 (1)°. In the crystal, mol­ecules are linked by two pairs of inversion-related N—H⋯O and C—H⋯O hydrogen bonds, generating alternating R (2) (2)(8) and R (2) (2)(6) ring motifs, respectively, in a zigzag supra­molecular chain that runs along the c axis. These chains stack along the a axis via S⋯C [3.424 (2) Å] contacts. A three-dimensional supra­molecular network is consolidated by C—H⋯π and π–π inter­actions [inter-centroid distance between di­meth­oxy­benzene rings = 3.815 (1) Å]. The crystal studied was a non-merohedral twin, with a refined value of the minor twin fraction of 0.2477 (6) .
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spelling pubmed-36482412013-05-30 (Z)-3-(3,4-Di­meth­oxy­benz­yl)-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(18)H(17)NO(3)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 60.3 (1)°. In the crystal, mol­ecules are linked by two pairs of inversion-related N—H⋯O and C—H⋯O hydrogen bonds, generating alternating R (2) (2)(8) and R (2) (2)(6) ring motifs, respectively, in a zigzag supra­molecular chain that runs along the c axis. These chains stack along the a axis via S⋯C [3.424 (2) Å] contacts. A three-dimensional supra­molecular network is consolidated by C—H⋯π and π–π inter­actions [inter-centroid distance between di­meth­oxy­benzene rings = 3.815 (1) Å]. The crystal studied was a non-merohedral twin, with a refined value of the minor twin fraction of 0.2477 (6) . International Union of Crystallography 2013-04-13 /pmc/articles/PMC3648241/ /pubmed/23723861 http://dx.doi.org/10.1107/S1600536813009598 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.
(Z)-3-(3,4-Di­meth­oxy­benz­yl)-1,5-benzo­thia­zepin-4(5H)-one
title (Z)-3-(3,4-Di­meth­oxy­benz­yl)-1,5-benzo­thia­zepin-4(5H)-one
title_full (Z)-3-(3,4-Di­meth­oxy­benz­yl)-1,5-benzo­thia­zepin-4(5H)-one
title_fullStr (Z)-3-(3,4-Di­meth­oxy­benz­yl)-1,5-benzo­thia­zepin-4(5H)-one
title_full_unstemmed (Z)-3-(3,4-Di­meth­oxy­benz­yl)-1,5-benzo­thia­zepin-4(5H)-one
title_short (Z)-3-(3,4-Di­meth­oxy­benz­yl)-1,5-benzo­thia­zepin-4(5H)-one
title_sort (z)-3-(3,4-di­meth­oxy­benz­yl)-1,5-benzo­thia­zepin-4(5h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648241/
https://www.ncbi.nlm.nih.gov/pubmed/23723861
http://dx.doi.org/10.1107/S1600536813009598
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