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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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)%. |
format | Online Article Text |
id | pubmed-3151870 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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