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4-{(Z)-(sec-Butyl­amino)(phen­yl)methyl­ene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

In the title compound, C(21)H(23)N(3)O, the dihedral angles formed by the pyrazolone ring with two phenyl rings are 10.38 (8) and 76.94 (6)°. The sec-butyl­amino group is disordered over two positions, with refined site-occupancy factors of 0.730 (4) and 0.270 (4). The compound could potentially be...

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Autores principales: Xu, Hai-Zhen, Xu, Jian-Ping, Yuan, Yan-Wei, Zhang, Jin, Zhu, You-Quan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970147/
https://www.ncbi.nlm.nih.gov/pubmed/21577531
http://dx.doi.org/10.1107/S160053680902950X
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author Xu, Hai-Zhen
Xu, Jian-Ping
Yuan, Yan-Wei
Zhang, Jin
Zhu, You-Quan
author_facet Xu, Hai-Zhen
Xu, Jian-Ping
Yuan, Yan-Wei
Zhang, Jin
Zhu, You-Quan
author_sort Xu, Hai-Zhen
collection PubMed
description In the title compound, C(21)H(23)N(3)O, the dihedral angles formed by the pyrazolone ring with two phenyl rings are 10.38 (8) and 76.94 (6)°. The sec-butyl­amino group is disordered over two positions, with refined site-occupancy factors of 0.730 (4) and 0.270 (4). The compound could potentially be ligand stabilized in the solid state in a keto–enamine tautomeric form. The amine functionality is involved in an intra­molecular N—H⋯O hydrogen bond, while weak inter­molecular C—H⋯O and C—H⋯N hydrogen bonds participate in the formation of the crystal structure.
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spelling pubmed-29701472010-12-30 4-{(Z)-(sec-Butyl­amino)(phen­yl)methyl­ene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one Xu, Hai-Zhen Xu, Jian-Ping Yuan, Yan-Wei Zhang, Jin Zhu, You-Quan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(23)N(3)O, the dihedral angles formed by the pyrazolone ring with two phenyl rings are 10.38 (8) and 76.94 (6)°. The sec-butyl­amino group is disordered over two positions, with refined site-occupancy factors of 0.730 (4) and 0.270 (4). The compound could potentially be ligand stabilized in the solid state in a keto–enamine tautomeric form. The amine functionality is involved in an intra­molecular N—H⋯O hydrogen bond, while weak inter­molecular C—H⋯O and C—H⋯N hydrogen bonds participate in the formation of the crystal structure. International Union of Crystallography 2009-08-08 /pmc/articles/PMC2970147/ /pubmed/21577531 http://dx.doi.org/10.1107/S160053680902950X Text en © Xu et al. 2009 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
Xu, Hai-Zhen
Xu, Jian-Ping
Yuan, Yan-Wei
Zhang, Jin
Zhu, You-Quan
4-{(Z)-(sec-Butyl­amino)(phen­yl)methyl­ene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
title 4-{(Z)-(sec-Butyl­amino)(phen­yl)methyl­ene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
title_full 4-{(Z)-(sec-Butyl­amino)(phen­yl)methyl­ene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
title_fullStr 4-{(Z)-(sec-Butyl­amino)(phen­yl)methyl­ene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
title_full_unstemmed 4-{(Z)-(sec-Butyl­amino)(phen­yl)methyl­ene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
title_short 4-{(Z)-(sec-Butyl­amino)(phen­yl)methyl­ene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
title_sort 4-{(z)-(sec-butyl­amino)(phen­yl)methyl­ene}-3-methyl-1-phenyl-1h-pyrazol-5(4h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970147/
https://www.ncbi.nlm.nih.gov/pubmed/21577531
http://dx.doi.org/10.1107/S160053680902950X
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