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Crystal structure of (E)-2-cyano-3-(12-methyl-12H-benzo[b]pheno­thia­zin-11-yl)acrylic acid

In the title compound, C(21)H(14)N(2)O(2)S, a donor–acceptor type of benzo[b]pheno­thia­zine (bpz) derivative, the thia­zine ring adopts a boat conformation and the bond-angle sum at the N atom is 360.0°. The dihedral angle between the benzene ring and the naphthelene ring system fused to the thia­z...

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Detalles Bibliográficos
Autores principales: Watanabe, Motonori, Ishihara, Tatsumi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186111/
https://www.ncbi.nlm.nih.gov/pubmed/25309206
http://dx.doi.org/10.1107/S1600536814018388
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author Watanabe, Motonori
Ishihara, Tatsumi
author_facet Watanabe, Motonori
Ishihara, Tatsumi
author_sort Watanabe, Motonori
collection PubMed
description In the title compound, C(21)H(14)N(2)O(2)S, a donor–acceptor type of benzo[b]pheno­thia­zine (bpz) derivative, the thia­zine ring adopts a boat conformation and the bond-angle sum at the N atom is 360.0°. The dihedral angle between the benzene ring and the naphthelene ring system fused to the thia­zine ring is 32.76 (5)°. In the crystal, carb­oxy­lic-acid inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate R (2) (2)(8) loops. Aromatic π–π stacking [shortest centroid–centroid separaton = 3.5242 (13)Å] consolidates the structure and very weak C—H⋯O and C—H⋯N inter­actions also occur.
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spelling pubmed-41861112014-10-12 Crystal structure of (E)-2-cyano-3-(12-methyl-12H-benzo[b]pheno­thia­zin-11-yl)acrylic acid Watanabe, Motonori Ishihara, Tatsumi Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(21)H(14)N(2)O(2)S, a donor–acceptor type of benzo[b]pheno­thia­zine (bpz) derivative, the thia­zine ring adopts a boat conformation and the bond-angle sum at the N atom is 360.0°. The dihedral angle between the benzene ring and the naphthelene ring system fused to the thia­zine ring is 32.76 (5)°. In the crystal, carb­oxy­lic-acid inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate R (2) (2)(8) loops. Aromatic π–π stacking [shortest centroid–centroid separaton = 3.5242 (13)Å] consolidates the structure and very weak C—H⋯O and C—H⋯N inter­actions also occur. International Union of Crystallography 2014-08-20 /pmc/articles/PMC4186111/ /pubmed/25309206 http://dx.doi.org/10.1107/S1600536814018388 Text en © Watanabe and Ishihara 2014 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 Data Reports
Watanabe, Motonori
Ishihara, Tatsumi
Crystal structure of (E)-2-cyano-3-(12-methyl-12H-benzo[b]pheno­thia­zin-11-yl)acrylic acid
title Crystal structure of (E)-2-cyano-3-(12-methyl-12H-benzo[b]pheno­thia­zin-11-yl)acrylic acid
title_full Crystal structure of (E)-2-cyano-3-(12-methyl-12H-benzo[b]pheno­thia­zin-11-yl)acrylic acid
title_fullStr Crystal structure of (E)-2-cyano-3-(12-methyl-12H-benzo[b]pheno­thia­zin-11-yl)acrylic acid
title_full_unstemmed Crystal structure of (E)-2-cyano-3-(12-methyl-12H-benzo[b]pheno­thia­zin-11-yl)acrylic acid
title_short Crystal structure of (E)-2-cyano-3-(12-methyl-12H-benzo[b]pheno­thia­zin-11-yl)acrylic acid
title_sort crystal structure of (e)-2-cyano-3-(12-methyl-12h-benzo[b]pheno­thia­zin-11-yl)acrylic acid
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186111/
https://www.ncbi.nlm.nih.gov/pubmed/25309206
http://dx.doi.org/10.1107/S1600536814018388
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