4-Hy­droxy-2-methyl-1,1-dioxo-2H-1λ(6),2- benzothia­zine-3-carb­oxy­lic acid hemihydrate

In the title compound, C(10)H(9)NO(5)S·0.5H(2)O, two geometrically different organic mol­ecules are present. The benzene rings and the carboxyl­ate groups are oriented at dihedral angles of 13.44 (4) and 21.15 (18)°. In both mol­ecules, an intra­molecular O—H⋯O hydrogen bond generates an S(6) ring....

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Autores principales: Aman, Farhana, Siddiqui, Waseeq Ahmad, Ashraf, Adnan, Tahir, M. Nawaz
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/PMC3295419/
https://www.ncbi.nlm.nih.gov/pubmed/22412530
http://dx.doi.org/10.1107/S1600536812004291
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author Aman, Farhana
Siddiqui, Waseeq Ahmad
Ashraf, Adnan
Tahir, M. Nawaz
author_facet Aman, Farhana
Siddiqui, Waseeq Ahmad
Ashraf, Adnan
Tahir, M. Nawaz
author_sort Aman, Farhana
collection PubMed
description In the title compound, C(10)H(9)NO(5)S·0.5H(2)O, two geometrically different organic mol­ecules are present. The benzene rings and the carboxyl­ate groups are oriented at dihedral angles of 13.44 (4) and 21.15 (18)°. In both mol­ecules, an intra­molecular O—H⋯O hydrogen bond generates an S(6) ring. In the crystal, both moleucles form inversion dimers linked by pairs of O—H⋯O hydrogen bonds to generate R (2) (2)(8) loops. The dimers are consolidated into chains extending along [100] by bridging O—H⋯O hydrogen bonds from the water mol­ecule. A weak C—H⋯O hydrogen bond also occurs.
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spelling pubmed-32954192012-03-12 4-Hy­droxy-2-methyl-1,1-dioxo-2H-1λ(6),2- benzothia­zine-3-carb­oxy­lic acid hemihydrate Aman, Farhana Siddiqui, Waseeq Ahmad Ashraf, Adnan Tahir, M. Nawaz Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(9)NO(5)S·0.5H(2)O, two geometrically different organic mol­ecules are present. The benzene rings and the carboxyl­ate groups are oriented at dihedral angles of 13.44 (4) and 21.15 (18)°. In both mol­ecules, an intra­molecular O—H⋯O hydrogen bond generates an S(6) ring. In the crystal, both moleucles form inversion dimers linked by pairs of O—H⋯O hydrogen bonds to generate R (2) (2)(8) loops. The dimers are consolidated into chains extending along [100] by bridging O—H⋯O hydrogen bonds from the water mol­ecule. A weak C—H⋯O hydrogen bond also occurs. International Union of Crystallography 2012-02-04 /pmc/articles/PMC3295419/ /pubmed/22412530 http://dx.doi.org/10.1107/S1600536812004291 Text en © Aman 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
Aman, Farhana
Siddiqui, Waseeq Ahmad
Ashraf, Adnan
Tahir, M. Nawaz
4-Hy­droxy-2-methyl-1,1-dioxo-2H-1λ(6),2- benzothia­zine-3-carb­oxy­lic acid hemihydrate
title 4-Hy­droxy-2-methyl-1,1-dioxo-2H-1λ(6),2- benzothia­zine-3-carb­oxy­lic acid hemihydrate
title_full 4-Hy­droxy-2-methyl-1,1-dioxo-2H-1λ(6),2- benzothia­zine-3-carb­oxy­lic acid hemihydrate
title_fullStr 4-Hy­droxy-2-methyl-1,1-dioxo-2H-1λ(6),2- benzothia­zine-3-carb­oxy­lic acid hemihydrate
title_full_unstemmed 4-Hy­droxy-2-methyl-1,1-dioxo-2H-1λ(6),2- benzothia­zine-3-carb­oxy­lic acid hemihydrate
title_short 4-Hy­droxy-2-methyl-1,1-dioxo-2H-1λ(6),2- benzothia­zine-3-carb­oxy­lic acid hemihydrate
title_sort 4-hy­droxy-2-methyl-1,1-dioxo-2h-1λ(6),2- benzothia­zine-3-carb­oxy­lic acid hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295419/
https://www.ncbi.nlm.nih.gov/pubmed/22412530
http://dx.doi.org/10.1107/S1600536812004291
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AT tahirmnawaz 4hydroxy2methyl11dioxo2h1l62benzothiazine3carboxylicacidhemihydrate

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