2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro­benz­yl)-3,4-dihydro-2H-1,2,4-benzothia­diazin-4-yl]acetic acid

In the mol­ecule of the title compound, C(16)H(12)ClF(3)N(2)O(4)S, the thia­diazine ring adopts a half-chair conformation. The dihedral angle between the benzene ring of the benzothia­diazine ring system and trifluoro­phenyl group is 15.02 (7)°. In the crystal, centrosymmetrically related mol­ecules...

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Detalles Bibliográficos
Autores principales: Yang, Yanchun, Guo, Yuhua, 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/PMC3344495/
https://www.ncbi.nlm.nih.gov/pubmed/22590257
http://dx.doi.org/10.1107/S1600536812014468
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author Yang, Yanchun
Guo, Yuhua
Zhu, Changjin
author_facet Yang, Yanchun
Guo, Yuhua
Zhu, Changjin
author_sort Yang, Yanchun
collection PubMed
description In the mol­ecule of the title compound, C(16)H(12)ClF(3)N(2)O(4)S, the thia­diazine ring adopts a half-chair conformation. The dihedral angle between the benzene ring of the benzothia­diazine ring system and trifluoro­phenyl group is 15.02 (7)°. In the crystal, centrosymmetrically related mol­ecules are linked into dimers via pairs of O—H⋯O hydrogen bonds, generating R (2) (2)(8) ring motifs. The dimers are further connected into a three-dimensional network by C—H⋯O hydrogen bonds.
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spelling pubmed-33444952012-05-15 2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro­benz­yl)-3,4-dihydro-2H-1,2,4-benzothia­diazin-4-yl]acetic acid Yang, Yanchun Guo, Yuhua Zhu, Changjin Acta Crystallogr Sect E Struct Rep Online Organic Papers In the mol­ecule of the title compound, C(16)H(12)ClF(3)N(2)O(4)S, the thia­diazine ring adopts a half-chair conformation. The dihedral angle between the benzene ring of the benzothia­diazine ring system and trifluoro­phenyl group is 15.02 (7)°. In the crystal, centrosymmetrically related mol­ecules are linked into dimers via pairs of O—H⋯O hydrogen bonds, generating R (2) (2)(8) ring motifs. The dimers are further connected into a three-dimensional network by C—H⋯O hydrogen bonds. International Union of Crystallography 2012-04-13 /pmc/articles/PMC3344495/ /pubmed/22590257 http://dx.doi.org/10.1107/S1600536812014468 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
Guo, Yuhua
Zhu, Changjin
2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro­benz­yl)-3,4-dihydro-2H-1,2,4-benzothia­diazin-4-yl]acetic acid
title 2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro­benz­yl)-3,4-dihydro-2H-1,2,4-benzothia­diazin-4-yl]acetic acid
title_full 2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro­benz­yl)-3,4-dihydro-2H-1,2,4-benzothia­diazin-4-yl]acetic acid
title_fullStr 2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro­benz­yl)-3,4-dihydro-2H-1,2,4-benzothia­diazin-4-yl]acetic acid
title_full_unstemmed 2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro­benz­yl)-3,4-dihydro-2H-1,2,4-benzothia­diazin-4-yl]acetic acid
title_short 2-[7-Chloro-1,1-dioxo-2-(2,4,5-trifluoro­benz­yl)-3,4-dihydro-2H-1,2,4-benzothia­diazin-4-yl]acetic acid
title_sort 2-[7-chloro-1,1-dioxo-2-(2,4,5-trifluoro­benz­yl)-3,4-dihydro-2h-1,2,4-benzothia­diazin-4-yl]acetic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344495/
https://www.ncbi.nlm.nih.gov/pubmed/22590257
http://dx.doi.org/10.1107/S1600536812014468
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AT guoyuhua 27chloro11dioxo2245trifluorobenzyl34dihydro2h124benzothiadiazin4ylaceticacid
AT zhuchangjin 27chloro11dioxo2245trifluorobenzyl34dihydro2h124benzothiadiazin4ylaceticacid

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