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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2970147 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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