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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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). |
format | Online Article Text |
id | pubmed-3435645 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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
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title_full | 4-Methyl-3-phenyl-2,4-dihydropyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide
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title_fullStr | 4-Methyl-3-phenyl-2,4-dihydropyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide
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title_full_unstemmed | 4-Methyl-3-phenyl-2,4-dihydropyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide
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title_short | 4-Methyl-3-phenyl-2,4-dihydropyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide
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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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