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2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo­[4,3-c][1,2]benzothia­zin-2-yl)acetic acid

In the title mol­ecule, C(13)H(13)N(3)O(4)S, the heterocyclic thia­zine ring adopts a half-chair conformation in which the S and an adjacent C atom are displaced by 0.919 (3) and 0.300 (4) Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The mean planes of the...

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Autores principales: Aslam, Sana, Siddiqui, Hamid Latif, Ahmad, Matloob, Zia-ur-Rehman, Muhammad, Parvez, Masood
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379518/
https://www.ncbi.nlm.nih.gov/pubmed/22719716
http://dx.doi.org/10.1107/S1600536812023677
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author Aslam, Sana
Siddiqui, Hamid Latif
Ahmad, Matloob
Zia-ur-Rehman, Muhammad
Parvez, Masood
author_facet Aslam, Sana
Siddiqui, Hamid Latif
Ahmad, Matloob
Zia-ur-Rehman, Muhammad
Parvez, Masood
author_sort Aslam, Sana
collection PubMed
description In the title mol­ecule, C(13)H(13)N(3)O(4)S, the heterocyclic thia­zine ring adopts a half-chair conformation in which the S and an adjacent C atom are displaced by 0.919 (3) and 0.300 (4) Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The mean planes of the benzene and pyrazole rings are inclined at a dihedral angle of 18.32 (12)° with respect to each other. The acetate group is oriented at 80.75 (8)° with respect to the pyrazole ring. The crystal structure is stabilized by O—H⋯N and C—H⋯O hydrogen bonds, resulting in fused eight- and seven-membered rings with R (2) (2)(8) and R (2) (2)(7) graph-set motifs, respectively.
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spelling pubmed-33795182012-06-20 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo­[4,3-c][1,2]benzothia­zin-2-yl)acetic acid Aslam, Sana Siddiqui, Hamid Latif Ahmad, Matloob Zia-ur-Rehman, Muhammad Parvez, Masood Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(13)H(13)N(3)O(4)S, the heterocyclic thia­zine ring adopts a half-chair conformation in which the S and an adjacent C atom are displaced by 0.919 (3) and 0.300 (4) Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The mean planes of the benzene and pyrazole rings are inclined at a dihedral angle of 18.32 (12)° with respect to each other. The acetate group is oriented at 80.75 (8)° with respect to the pyrazole ring. The crystal structure is stabilized by O—H⋯N and C—H⋯O hydrogen bonds, resulting in fused eight- and seven-membered rings with R (2) (2)(8) and R (2) (2)(7) graph-set motifs, respectively. International Union of Crystallography 2012-05-31 /pmc/articles/PMC3379518/ /pubmed/22719716 http://dx.doi.org/10.1107/S1600536812023677 Text en © Aslam 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
Aslam, Sana
Siddiqui, Hamid Latif
Ahmad, Matloob
Zia-ur-Rehman, Muhammad
Parvez, Masood
2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo­[4,3-c][1,2]benzothia­zin-2-yl)acetic acid
title 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo­[4,3-c][1,2]benzothia­zin-2-yl)acetic acid
title_full 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo­[4,3-c][1,2]benzothia­zin-2-yl)acetic acid
title_fullStr 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo­[4,3-c][1,2]benzothia­zin-2-yl)acetic acid
title_full_unstemmed 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo­[4,3-c][1,2]benzothia­zin-2-yl)acetic acid
title_short 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo­[4,3-c][1,2]benzothia­zin-2-yl)acetic acid
title_sort 2-(3,4-dimethyl-5,5-dioxo-2h,4h-pyrazolo­[4,3-c][1,2]benzothia­zin-2-yl)acetic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379518/
https://www.ncbi.nlm.nih.gov/pubmed/22719716
http://dx.doi.org/10.1107/S1600536812023677
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