2-[(E)-1,1-Dioxo-2-(2,4,5-tri­fluoro­benz­yl)-3,4-di­hydro-2H-1,2-benzo­thia­zin-4-yl­idene]acetic acid

In the asymmetric unit of the title compound, C(17)H(12)F(3)NO(4)S, there are two conformationally similar mol­ecules in which the heterocyclic thia­zine ring adopts a half-chair conformation, with the dihedral angle between the two benzene rings being 24.84 (8) and 37.42 (8)°. In the crystal, the m...

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Detalles Bibliográficos
Autores principales: Zhu, Shaojuan, Parveen, Shagufta, Zhu, Changjin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120568/
https://www.ncbi.nlm.nih.gov/pubmed/25161563
http://dx.doi.org/10.1107/S1600536814013245
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author Zhu, Shaojuan
Parveen, Shagufta
Zhu, Changjin
author_facet Zhu, Shaojuan
Parveen, Shagufta
Zhu, Changjin
author_sort Zhu, Shaojuan
collection PubMed
description In the asymmetric unit of the title compound, C(17)H(12)F(3)NO(4)S, there are two conformationally similar mol­ecules in which the heterocyclic thia­zine ring adopts a half-chair conformation, with the dihedral angle between the two benzene rings being 24.84 (8) and 37.42 (8)°. In the crystal, the mol­ecules form dimers through cyclic carb­oxy­lic acid O—H⋯O hydrogen-bonding associations [graph set R (2) (2)(8)] and are extended into chains along [101] through weak C—H⋯O(sulfin­yl) hydrogen bonds [graph set R (2) (2)(14)]..
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spelling pubmed-41205682014-08-26 2-[(E)-1,1-Dioxo-2-(2,4,5-tri­fluoro­benz­yl)-3,4-di­hydro-2H-1,2-benzo­thia­zin-4-yl­idene]acetic acid Zhu, Shaojuan Parveen, Shagufta Zhu, Changjin Acta Crystallogr Sect E Struct Rep Online Organic Papers In the asymmetric unit of the title compound, C(17)H(12)F(3)NO(4)S, there are two conformationally similar mol­ecules in which the heterocyclic thia­zine ring adopts a half-chair conformation, with the dihedral angle between the two benzene rings being 24.84 (8) and 37.42 (8)°. In the crystal, the mol­ecules form dimers through cyclic carb­oxy­lic acid O—H⋯O hydrogen-bonding associations [graph set R (2) (2)(8)] and are extended into chains along [101] through weak C—H⋯O(sulfin­yl) hydrogen bonds [graph set R (2) (2)(14)].. International Union of Crystallography 2014-06-14 /pmc/articles/PMC4120568/ /pubmed/25161563 http://dx.doi.org/10.1107/S1600536814013245 Text en © Zhu 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
Zhu, Shaojuan
Parveen, Shagufta
Zhu, Changjin
2-[(E)-1,1-Dioxo-2-(2,4,5-tri­fluoro­benz­yl)-3,4-di­hydro-2H-1,2-benzo­thia­zin-4-yl­idene]acetic acid
title 2-[(E)-1,1-Dioxo-2-(2,4,5-tri­fluoro­benz­yl)-3,4-di­hydro-2H-1,2-benzo­thia­zin-4-yl­idene]acetic acid
title_full 2-[(E)-1,1-Dioxo-2-(2,4,5-tri­fluoro­benz­yl)-3,4-di­hydro-2H-1,2-benzo­thia­zin-4-yl­idene]acetic acid
title_fullStr 2-[(E)-1,1-Dioxo-2-(2,4,5-tri­fluoro­benz­yl)-3,4-di­hydro-2H-1,2-benzo­thia­zin-4-yl­idene]acetic acid
title_full_unstemmed 2-[(E)-1,1-Dioxo-2-(2,4,5-tri­fluoro­benz­yl)-3,4-di­hydro-2H-1,2-benzo­thia­zin-4-yl­idene]acetic acid
title_short 2-[(E)-1,1-Dioxo-2-(2,4,5-tri­fluoro­benz­yl)-3,4-di­hydro-2H-1,2-benzo­thia­zin-4-yl­idene]acetic acid
title_sort 2-[(e)-1,1-dioxo-2-(2,4,5-tri­fluoro­benz­yl)-3,4-di­hydro-2h-1,2-benzo­thia­zin-4-yl­idene]acetic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120568/
https://www.ncbi.nlm.nih.gov/pubmed/25161563
http://dx.doi.org/10.1107/S1600536814013245
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AT parveenshagufta 2e11dioxo2245trifluorobenzyl34dihydro2h12benzothiazin4ylideneaceticacid
AT zhuchangjin 2e11dioxo2245trifluorobenzyl34dihydro2h12benzothiazin4ylideneaceticacid

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