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4-[(1-Benzyl-1,2,3-triazol-5-yl)meth­yl]-2H-1,4-benzo­thia­zin-3(4H)-one

The asymmetric unit of the title compound, C(18)H(16)N(4)OS, contains two independent mol­ecules of similar conformation, the most relevant difference being the dihedral angle formed by the benzene rings [57.8 (2) and 52.7 (2)°]. The six-membered heterocycle of the benzo­thia­zine fragment exhibits...

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Autores principales: Sebbar, Nada Kheira, El Fal, Mohammed, Essassi, El Mokhtar, Saadi, Mohamed, El Ammari, Lahcen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998426/
https://www.ncbi.nlm.nih.gov/pubmed/24765048
http://dx.doi.org/10.1107/S1600536814003900
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author Sebbar, Nada Kheira
El Fal, Mohammed
Essassi, El Mokhtar
Saadi, Mohamed
El Ammari, Lahcen
author_facet Sebbar, Nada Kheira
El Fal, Mohammed
Essassi, El Mokhtar
Saadi, Mohamed
El Ammari, Lahcen
author_sort Sebbar, Nada Kheira
collection PubMed
description The asymmetric unit of the title compound, C(18)H(16)N(4)OS, contains two independent mol­ecules of similar conformation, the most relevant difference being the dihedral angle formed by the benzene rings [57.8 (2) and 52.7 (2)°]. The six-membered heterocycle of the benzo­thia­zine fragment exhibits a screw-boat conformation in both mol­ecules. The plane through the triazole ring is nearly perpendicular to those through the fused and terminal benzene rings [dihedral angles of 74.2 (2) and 83.2 (2)° in one mol­ecule, and 77.8 (2) and 82.9 (2)° in the other]. In the crystal, mol­ecules are linked by C—H⋯N and C—H⋯O hydrogen bonds into chains parallel to the a-axis direction. The crystal used was a non-merohedral twin, the refined ratio of twin components being 0.85 (10):15 (10).
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spelling pubmed-39984262014-04-24 4-[(1-Benzyl-1,2,3-triazol-5-yl)meth­yl]-2H-1,4-benzo­thia­zin-3(4H)-one Sebbar, Nada Kheira El Fal, Mohammed Essassi, El Mokhtar Saadi, Mohamed El Ammari, Lahcen Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(18)H(16)N(4)OS, contains two independent mol­ecules of similar conformation, the most relevant difference being the dihedral angle formed by the benzene rings [57.8 (2) and 52.7 (2)°]. The six-membered heterocycle of the benzo­thia­zine fragment exhibits a screw-boat conformation in both mol­ecules. The plane through the triazole ring is nearly perpendicular to those through the fused and terminal benzene rings [dihedral angles of 74.2 (2) and 83.2 (2)° in one mol­ecule, and 77.8 (2) and 82.9 (2)° in the other]. In the crystal, mol­ecules are linked by C—H⋯N and C—H⋯O hydrogen bonds into chains parallel to the a-axis direction. The crystal used was a non-merohedral twin, the refined ratio of twin components being 0.85 (10):15 (10). International Union of Crystallography 2014-02-26 /pmc/articles/PMC3998426/ /pubmed/24765048 http://dx.doi.org/10.1107/S1600536814003900 Text en © Sebbar et al. 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 Organic Papers
Sebbar, Nada Kheira
El Fal, Mohammed
Essassi, El Mokhtar
Saadi, Mohamed
El Ammari, Lahcen
4-[(1-Benzyl-1,2,3-triazol-5-yl)meth­yl]-2H-1,4-benzo­thia­zin-3(4H)-one
title 4-[(1-Benzyl-1,2,3-triazol-5-yl)meth­yl]-2H-1,4-benzo­thia­zin-3(4H)-one
title_full 4-[(1-Benzyl-1,2,3-triazol-5-yl)meth­yl]-2H-1,4-benzo­thia­zin-3(4H)-one
title_fullStr 4-[(1-Benzyl-1,2,3-triazol-5-yl)meth­yl]-2H-1,4-benzo­thia­zin-3(4H)-one
title_full_unstemmed 4-[(1-Benzyl-1,2,3-triazol-5-yl)meth­yl]-2H-1,4-benzo­thia­zin-3(4H)-one
title_short 4-[(1-Benzyl-1,2,3-triazol-5-yl)meth­yl]-2H-1,4-benzo­thia­zin-3(4H)-one
title_sort 4-[(1-benzyl-1,2,3-triazol-5-yl)meth­yl]-2h-1,4-benzo­thia­zin-3(4h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998426/
https://www.ncbi.nlm.nih.gov/pubmed/24765048
http://dx.doi.org/10.1107/S1600536814003900
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