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4-[(E)-(2,4,5-Trimethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
The title compound, C(21)H(23)N(3)O(4), adopts an E configuration about the central C=N double bond and the pyrazolone ring is almost planar, with a maximum deviation of 0.042 (1) Å. The central pyrazolone ring makes dihedral angles of 51.96 (5) and 3.82 (5)° with the attached phenyl and the trimeth...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006971/ https://www.ncbi.nlm.nih.gov/pubmed/21587884 http://dx.doi.org/10.1107/S1600536810021586 |
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author | Fun, Hoong-Kun Hemamalini, Madhukar Asiri, Abdullah M. Khan, Salman A. |
author_facet | Fun, Hoong-Kun Hemamalini, Madhukar Asiri, Abdullah M. Khan, Salman A. |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | The title compound, C(21)H(23)N(3)O(4), adopts an E configuration about the central C=N double bond and the pyrazolone ring is almost planar, with a maximum deviation of 0.042 (1) Å. The central pyrazolone ring makes dihedral angles of 51.96 (5) and 3.82 (5)° with the attached phenyl and the trimethoxy-substituted benzene rings, respectively. The dihedral angle between the phenyl ring and the trimethoxy-substituted benzene ring is 50.19 (5)° and an intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by intermolecular C—H⋯O and C—H⋯N hydrogen bonds. |
format | Text |
id | pubmed-3006971 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30069712010-12-30 4-[(E)-(2,4,5-Trimethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one Fun, Hoong-Kun Hemamalini, Madhukar Asiri, Abdullah M. Khan, Salman A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(21)H(23)N(3)O(4), adopts an E configuration about the central C=N double bond and the pyrazolone ring is almost planar, with a maximum deviation of 0.042 (1) Å. The central pyrazolone ring makes dihedral angles of 51.96 (5) and 3.82 (5)° with the attached phenyl and the trimethoxy-substituted benzene rings, respectively. The dihedral angle between the phenyl ring and the trimethoxy-substituted benzene ring is 50.19 (5)° and an intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by intermolecular C—H⋯O and C—H⋯N hydrogen bonds. International Union of Crystallography 2010-06-16 /pmc/articles/PMC3006971/ /pubmed/21587884 http://dx.doi.org/10.1107/S1600536810021586 Text en © Fun et al. 2010 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 Fun, Hoong-Kun Hemamalini, Madhukar Asiri, Abdullah M. Khan, Salman A. 4-[(E)-(2,4,5-Trimethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title | 4-[(E)-(2,4,5-Trimethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_full | 4-[(E)-(2,4,5-Trimethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_fullStr | 4-[(E)-(2,4,5-Trimethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_full_unstemmed | 4-[(E)-(2,4,5-Trimethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_short | 4-[(E)-(2,4,5-Trimethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_sort | 4-[(e)-(2,4,5-trimethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1h-pyrazol-3(2h)-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006971/ https://www.ncbi.nlm.nih.gov/pubmed/21587884 http://dx.doi.org/10.1107/S1600536810021586 |
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