(2Z)-3-(3-Bromo­anilino)-1-(5-hy­droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one

In the title compound, C(20)H(18)BrN(3)O(2), the central carbonyl group forms amine-N—H⋯O and hy­droxy-O—H⋯O hydrogen bonds, which lead to two fused S(6) rings. The N-bound phenyl ring is coplanar with the five-membered ring to which it is attached [dihedral angle = 5.22 (18)°], but the dihedral ang...

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Autores principales: Asiri, Abdullah M., Faidallah, Hassan M., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297875/
https://www.ncbi.nlm.nih.gov/pubmed/22412678
http://dx.doi.org/10.1107/S1600536812006939
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author Asiri, Abdullah M.
Faidallah, Hassan M.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Asiri, Abdullah M.
Faidallah, Hassan M.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Asiri, Abdullah M.
collection PubMed
description In the title compound, C(20)H(18)BrN(3)O(2), the central carbonyl group forms amine-N—H⋯O and hy­droxy-O—H⋯O hydrogen bonds, which lead to two fused S(6) rings. The N-bound phenyl ring is coplanar with the five-membered ring to which it is attached [dihedral angle = 5.22 (18)°], but the dihedral angle [33.87 (17)°] between the terminal phenyl and bromo­benzene rings indicates an overall twist in the mol­ecule. In the crystal packing, mol­ecules assemble into dimeric aggregates via C—H⋯π inter­actions.
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spelling pubmed-32978752012-03-12 (2Z)-3-(3-Bromo­anilino)-1-(5-hy­droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one Asiri, Abdullah M. Faidallah, Hassan M. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(18)BrN(3)O(2), the central carbonyl group forms amine-N—H⋯O and hy­droxy-O—H⋯O hydrogen bonds, which lead to two fused S(6) rings. The N-bound phenyl ring is coplanar with the five-membered ring to which it is attached [dihedral angle = 5.22 (18)°], but the dihedral angle [33.87 (17)°] between the terminal phenyl and bromo­benzene rings indicates an overall twist in the mol­ecule. In the crystal packing, mol­ecules assemble into dimeric aggregates via C—H⋯π inter­actions. International Union of Crystallography 2012-02-24 /pmc/articles/PMC3297875/ /pubmed/22412678 http://dx.doi.org/10.1107/S1600536812006939 Text en © Asiri 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
Asiri, Abdullah M.
Faidallah, Hassan M.
Ng, Seik Weng
Tiekink, Edward R. T.
(2Z)-3-(3-Bromo­anilino)-1-(5-hy­droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one
title (2Z)-3-(3-Bromo­anilino)-1-(5-hy­droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one
title_full (2Z)-3-(3-Bromo­anilino)-1-(5-hy­droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one
title_fullStr (2Z)-3-(3-Bromo­anilino)-1-(5-hy­droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one
title_full_unstemmed (2Z)-3-(3-Bromo­anilino)-1-(5-hy­droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one
title_short (2Z)-3-(3-Bromo­anilino)-1-(5-hy­droxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)but-2-en-1-one
title_sort (2z)-3-(3-bromo­anilino)-1-(5-hy­droxy-3-methyl-1-phenyl-1h-pyrazol-4-yl)but-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297875/
https://www.ncbi.nlm.nih.gov/pubmed/22412678
http://dx.doi.org/10.1107/S1600536812006939
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