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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...

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Autores principales: Bukhari, Mujahid Hussain, Ahmad, Matloob, Siddiqui, Hamid Latif, Gul, Salman, 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/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).
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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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