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(E,E)-4-{4-[3-(4-Chloro­anilino)-1-hydroxy­but-2-enyl­idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}­benzene­sulfonamide

The mol­ecule of the title compound, C(20)H(19)ClN(4)O(4)S, features a central pyrazole ring that possesses a benzene substituent, as well as a conjugated =C—C=C—C(meth­yl) substituent. The benzene ring is slightly twisted [dihedral angle = 7.7 (2)°] with respect to the five-membered ring; the mean...

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Autores principales: Asiri, Abdullah M., Faidallah, Hassan M., Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151870/
https://www.ncbi.nlm.nih.gov/pubmed/21836998
http://dx.doi.org/10.1107/S1600536811020617
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author Asiri, Abdullah M.
Faidallah, Hassan M.
Ng, Seik Weng
author_facet Asiri, Abdullah M.
Faidallah, Hassan M.
Ng, Seik Weng
author_sort Asiri, Abdullah M.
collection PubMed
description The mol­ecule of the title compound, C(20)H(19)ClN(4)O(4)S, features a central pyrazole ring that possesses a benzene substituent, as well as a conjugated =C—C=C—C(meth­yl) substituent. The benzene ring is slightly twisted [dihedral angle = 7.7 (2)°] with respect to the five-membered ring; the mean plane of the zigzag =C—C=C—C fragment [torsion angle = 178.0 (4)°] is also slightly twisted [dihedral angle = 10.6 (4)°]. The amine and hy­droxy groups form intra­molecular hydrogen bonds. The amide group uses one of its H atoms to form a hydrogen bond to the sulfamyl O atom of an inversion-related mol­ecule. Adjacent dimers are further linked by an N—H(amido)⋯N(pyrazole) hydrogen bond to generate a linear chain. The crystal studied is a nonmerohedral twin with a minor twin component of 25.6 (2)%.
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spelling pubmed-31518702011-08-11 (E,E)-4-{4-[3-(4-Chloro­anilino)-1-hydroxy­but-2-enyl­idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}­benzene­sulfonamide Asiri, Abdullah M. Faidallah, Hassan M. Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecule of the title compound, C(20)H(19)ClN(4)O(4)S, features a central pyrazole ring that possesses a benzene substituent, as well as a conjugated =C—C=C—C(meth­yl) substituent. The benzene ring is slightly twisted [dihedral angle = 7.7 (2)°] with respect to the five-membered ring; the mean plane of the zigzag =C—C=C—C fragment [torsion angle = 178.0 (4)°] is also slightly twisted [dihedral angle = 10.6 (4)°]. The amine and hy­droxy groups form intra­molecular hydrogen bonds. The amide group uses one of its H atoms to form a hydrogen bond to the sulfamyl O atom of an inversion-related mol­ecule. Adjacent dimers are further linked by an N—H(amido)⋯N(pyrazole) hydrogen bond to generate a linear chain. The crystal studied is a nonmerohedral twin with a minor twin component of 25.6 (2)%. International Union of Crystallography 2011-06-04 /pmc/articles/PMC3151870/ /pubmed/21836998 http://dx.doi.org/10.1107/S1600536811020617 Text en © Asiri et al. 2011 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
Asiri, Abdullah M.
Faidallah, Hassan M.
Ng, Seik Weng
(E,E)-4-{4-[3-(4-Chloro­anilino)-1-hydroxy­but-2-enyl­idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}­benzene­sulfonamide
title (E,E)-4-{4-[3-(4-Chloro­anilino)-1-hydroxy­but-2-enyl­idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}­benzene­sulfonamide
title_full (E,E)-4-{4-[3-(4-Chloro­anilino)-1-hydroxy­but-2-enyl­idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}­benzene­sulfonamide
title_fullStr (E,E)-4-{4-[3-(4-Chloro­anilino)-1-hydroxy­but-2-enyl­idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}­benzene­sulfonamide
title_full_unstemmed (E,E)-4-{4-[3-(4-Chloro­anilino)-1-hydroxy­but-2-enyl­idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}­benzene­sulfonamide
title_short (E,E)-4-{4-[3-(4-Chloro­anilino)-1-hydroxy­but-2-enyl­idene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}­benzene­sulfonamide
title_sort (e,e)-4-{4-[3-(4-chloro­anilino)-1-hydroxy­but-2-enyl­idene]-3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl}­benzene­sulfonamide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151870/
https://www.ncbi.nlm.nih.gov/pubmed/21836998
http://dx.doi.org/10.1107/S1600536811020617
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