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4-Methyl-3-phenyl-2,4-dihydro­pyrazolo­[4,3-c][1,2]benzothia­zine 5,5-dioxide

In the title mol­ecule, C(16)H(13)N(3)O(2)S, the heterocyclic thia­zine ring adopts a twist chair conformation with the S atom and an adjacent C atom displaced by 0.946 (5) and 0.405 (6) Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The mean planes of the be...

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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/PMC3435645/
https://www.ncbi.nlm.nih.gov/pubmed/22969518
http://dx.doi.org/10.1107/S1600536812033284
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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(16)H(13)N(3)O(2)S, the heterocyclic thia­zine ring adopts a twist chair conformation with the S atom and an adjacent C atom displaced by 0.946 (5) and 0.405 (6) Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The mean planes of the benzene rings make dihedral angles of 16.61 (10) and 15.32 (10)° with the mean plane of the pyrazole ring. The mol­ecular structure is consolidated by intra­molecular C—H⋯N inter­actions and the crystal packing is stabilized by N—H⋯O and C—H⋯N hydrogen bonds. The crystal studied was an inversion twin with the refined ratio of the twin components being 0.53 (11):0.47 (11).
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spelling pubmed-34356452012-09-11 4-Methyl-3-phenyl-2,4-dihydro­pyrazolo­[4,3-c][1,2]benzothia­zine 5,5-dioxide 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(16)H(13)N(3)O(2)S, the heterocyclic thia­zine ring adopts a twist chair conformation with the S atom and an adjacent C atom displaced by 0.946 (5) and 0.405 (6) Å, respectively, on the same side of the mean plane formed by the remaining ring atoms. The mean planes of the benzene rings make dihedral angles of 16.61 (10) and 15.32 (10)° with the mean plane of the pyrazole ring. The mol­ecular structure is consolidated by intra­molecular C—H⋯N inter­actions and the crystal packing is stabilized by N—H⋯O and C—H⋯N hydrogen bonds. The crystal studied was an inversion twin with the refined ratio of the twin components being 0.53 (11):0.47 (11). International Union of Crystallography 2012-08-01 /pmc/articles/PMC3435645/ /pubmed/22969518 http://dx.doi.org/10.1107/S1600536812033284 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
4-Methyl-3-phenyl-2,4-dihydro­pyrazolo­[4,3-c][1,2]benzothia­zine 5,5-dioxide
title 4-Methyl-3-phenyl-2,4-dihydro­pyrazolo­[4,3-c][1,2]benzothia­zine 5,5-dioxide
title_full 4-Methyl-3-phenyl-2,4-dihydro­pyrazolo­[4,3-c][1,2]benzothia­zine 5,5-dioxide
title_fullStr 4-Methyl-3-phenyl-2,4-dihydro­pyrazolo­[4,3-c][1,2]benzothia­zine 5,5-dioxide
title_full_unstemmed 4-Methyl-3-phenyl-2,4-dihydro­pyrazolo­[4,3-c][1,2]benzothia­zine 5,5-dioxide
title_short 4-Methyl-3-phenyl-2,4-dihydro­pyrazolo­[4,3-c][1,2]benzothia­zine 5,5-dioxide
title_sort 4-methyl-3-phenyl-2,4-dihydro­pyrazolo­[4,3-c][1,2]benzothia­zine 5,5-dioxide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435645/
https://www.ncbi.nlm.nih.gov/pubmed/22969518
http://dx.doi.org/10.1107/S1600536812033284
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