2-[1,1-Dioxo-2-(2,4,5-trifluoro­benz­yl)-2H-1,2-benzothia­zin-4-yl]acetic acid

In the title compound, C(17)H(12)F(3)NO(4)S, the heterocyclic thia­zine ring adopts a half-chair conformation with the S and the N atoms displaced by −0.608 (3) and 0.105 (3) Å, respectively, from the mean plane formed by the remaining ring atoms. The dihedral angle between the two benzene rings is...

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Detalles Bibliográficos
Autores principales: Yang, Yanchun, Yu, Youzhu, Zhu, Changjin
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/PMC3344496/
https://www.ncbi.nlm.nih.gov/pubmed/22590258
http://dx.doi.org/10.1107/S1600536812015942
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author Yang, Yanchun
Yu, Youzhu
Zhu, Changjin
author_facet Yang, Yanchun
Yu, Youzhu
Zhu, Changjin
author_sort Yang, Yanchun
collection PubMed
description In the title compound, C(17)H(12)F(3)NO(4)S, the heterocyclic thia­zine ring adopts a half-chair conformation with the S and the N atoms displaced by −0.608 (3) and 0.105 (3) Å, respectively, from the mean plane formed by the remaining ring atoms. The dihedral angle between the two benzene rings is 36.63 (8)° and the acetic acid group is inclined at right angles [89.78 (8) °] to the mean plane formed by the C atoms of the thia­zine ring. The crystal structure features O—H⋯O and C—H⋯O hydrogen bonds.
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spelling pubmed-33444962012-05-15 2-[1,1-Dioxo-2-(2,4,5-trifluoro­benz­yl)-2H-1,2-benzothia­zin-4-yl]acetic acid Yang, Yanchun Yu, Youzhu Zhu, Changjin Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(12)F(3)NO(4)S, the heterocyclic thia­zine ring adopts a half-chair conformation with the S and the N atoms displaced by −0.608 (3) and 0.105 (3) Å, respectively, from the mean plane formed by the remaining ring atoms. The dihedral angle between the two benzene rings is 36.63 (8)° and the acetic acid group is inclined at right angles [89.78 (8) °] to the mean plane formed by the C atoms of the thia­zine ring. The crystal structure features O—H⋯O and C—H⋯O hydrogen bonds. International Union of Crystallography 2012-04-13 /pmc/articles/PMC3344496/ /pubmed/22590258 http://dx.doi.org/10.1107/S1600536812015942 Text en © Yang 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
Yang, Yanchun
Yu, Youzhu
Zhu, Changjin
2-[1,1-Dioxo-2-(2,4,5-trifluoro­benz­yl)-2H-1,2-benzothia­zin-4-yl]acetic acid
title 2-[1,1-Dioxo-2-(2,4,5-trifluoro­benz­yl)-2H-1,2-benzothia­zin-4-yl]acetic acid
title_full 2-[1,1-Dioxo-2-(2,4,5-trifluoro­benz­yl)-2H-1,2-benzothia­zin-4-yl]acetic acid
title_fullStr 2-[1,1-Dioxo-2-(2,4,5-trifluoro­benz­yl)-2H-1,2-benzothia­zin-4-yl]acetic acid
title_full_unstemmed 2-[1,1-Dioxo-2-(2,4,5-trifluoro­benz­yl)-2H-1,2-benzothia­zin-4-yl]acetic acid
title_short 2-[1,1-Dioxo-2-(2,4,5-trifluoro­benz­yl)-2H-1,2-benzothia­zin-4-yl]acetic acid
title_sort 2-[1,1-dioxo-2-(2,4,5-trifluoro­benz­yl)-2h-1,2-benzothia­zin-4-yl]acetic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344496/
https://www.ncbi.nlm.nih.gov/pubmed/22590258
http://dx.doi.org/10.1107/S1600536812015942
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AT yuyouzhu 211dioxo2245trifluorobenzyl2h12benzothiazin4ylaceticacid
AT zhuchangjin 211dioxo2245trifluorobenzyl2h12benzothiazin4ylaceticacid

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