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3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate
In the title compound, C(29)H(27)N(3)O(4)S·0.5C(6)H(14), the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.500 (5) and 0.229 (5) Å, respectively, on opposite sides from the mean plane formed by the remaining ring atoms. The mean planes of the pyra...
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/PMC3275214/ https://www.ncbi.nlm.nih.gov/pubmed/22347070 http://dx.doi.org/10.1107/S1600536812000712 |
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author | Bukhari, Mujahid Hussain Ahmad, Matloob Siddiqui, Hamid Latif Gul, Salman Parvez, Masood |
author_facet | Bukhari, Mujahid Hussain Ahmad, Matloob Siddiqui, Hamid Latif Gul, Salman Parvez, Masood |
author_sort | Bukhari, Mujahid Hussain |
collection | PubMed |
description | In the title compound, C(29)H(27)N(3)O(4)S·0.5C(6)H(14), the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.500 (5) and 0.229 (5) Å, respectively, on opposite sides from the mean plane formed by the remaining ring atoms. The mean planes of the pyrazole ring and the benzene ring bonded to it form a dihedral angle of 35.76 (11)° and an intramolecular O—H⋯O hydrogen bond ocurs. The crystal structure features O—H⋯O and C—H⋯O hydrogen bonds. There is a half-molecule of hexane in the asymmetric unit lying about an inversion center. It is disordered over two sets of sites with occupancy factors 0.590 (9) and 0.410 (9). |
format | Online Article Text |
id | pubmed-3275214 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32752142012-02-15 3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate Bukhari, Mujahid Hussain Ahmad, Matloob Siddiqui, Hamid Latif Gul, Salman Parvez, Masood Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(29)H(27)N(3)O(4)S·0.5C(6)H(14), the heterocyclic thiazine ring adopts a half-chair conformation with the S and N atoms displaced by 0.500 (5) and 0.229 (5) Å, respectively, on opposite sides from the mean plane formed by the remaining ring atoms. The mean planes of the pyrazole ring and the benzene ring bonded to it form a dihedral angle of 35.76 (11)° and an intramolecular O—H⋯O hydrogen bond ocurs. The crystal structure features O—H⋯O and C—H⋯O hydrogen bonds. There is a half-molecule of hexane in the asymmetric unit lying about an inversion center. It is disordered over two sets of sites with occupancy factors 0.590 (9) and 0.410 (9). International Union of Crystallography 2012-01-18 /pmc/articles/PMC3275214/ /pubmed/22347070 http://dx.doi.org/10.1107/S1600536812000712 Text en © Bukhari 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 Bukhari, Mujahid Hussain Ahmad, Matloob Siddiqui, Hamid Latif Gul, Salman Parvez, Masood 3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate |
title | 3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate |
title_full | 3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate |
title_fullStr | 3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate |
title_full_unstemmed | 3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate |
title_short | 3-[4-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate |
title_sort | 3-[4-(3,4-dimethyl-5,5-dioxo-2h,4h-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)phenyl]-2-hydroxy-1-mesitylprop-2-en-1-one hexane hemisolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275214/ https://www.ncbi.nlm.nih.gov/pubmed/22347070 http://dx.doi.org/10.1107/S1600536812000712 |
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