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(Z)-3-Methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1H-pyrazol-5(4H)-one
In the title molecule, C(20)H(21)N(3)O, the central pyrazole ring forms dihedral angles of 4.75 (9) and 49.11 (9)°, respectively, with the phenyl and methyl-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 51.76 (8)°. The amino group and carbonyl O atom are invo...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793766/ https://www.ncbi.nlm.nih.gov/pubmed/24109353 http://dx.doi.org/10.1107/S1600536813019144 |
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author | Sharma, Naresh Vyas, Komal M. Jadeja, R. N. Kant, Rajni Gupta, Vivek K. |
author_facet | Sharma, Naresh Vyas, Komal M. Jadeja, R. N. Kant, Rajni Gupta, Vivek K. |
author_sort | Sharma, Naresh |
collection | PubMed |
description | In the title molecule, C(20)H(21)N(3)O, the central pyrazole ring forms dihedral angles of 4.75 (9) and 49.11 (9)°, respectively, with the phenyl and methyl-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 51.76 (8)°. The amino group and carbonyl O atom are involved in an intramolecular N—H⋯O hydrogen bond. In the crystal, π–π interactions are observed between benzene rings [centroid–centroid seperation = 3.892 (2) Å] and pyrazole rings [centroid–centroid seperation = 3.626 (2) Å], forming chains along [111]. The H atoms of the methyl group on the p-tolyl substituent were refined as disordered over two sets of sites in a 0.60 (4):0.40 (4) ratio. |
format | Online Article Text |
id | pubmed-3793766 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37937662013-10-09 (Z)-3-Methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1H-pyrazol-5(4H)-one Sharma, Naresh Vyas, Komal M. Jadeja, R. N. Kant, Rajni Gupta, Vivek K. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(20)H(21)N(3)O, the central pyrazole ring forms dihedral angles of 4.75 (9) and 49.11 (9)°, respectively, with the phenyl and methyl-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 51.76 (8)°. The amino group and carbonyl O atom are involved in an intramolecular N—H⋯O hydrogen bond. In the crystal, π–π interactions are observed between benzene rings [centroid–centroid seperation = 3.892 (2) Å] and pyrazole rings [centroid–centroid seperation = 3.626 (2) Å], forming chains along [111]. The H atoms of the methyl group on the p-tolyl substituent were refined as disordered over two sets of sites in a 0.60 (4):0.40 (4) ratio. International Union of Crystallography 2013-07-17 /pmc/articles/PMC3793766/ /pubmed/24109353 http://dx.doi.org/10.1107/S1600536813019144 Text en © Sharma et al. 2013 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 Sharma, Naresh Vyas, Komal M. Jadeja, R. N. Kant, Rajni Gupta, Vivek K. (Z)-3-Methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1H-pyrazol-5(4H)-one |
title | (Z)-3-Methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1H-pyrazol-5(4H)-one |
title_full | (Z)-3-Methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1H-pyrazol-5(4H)-one |
title_fullStr | (Z)-3-Methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1H-pyrazol-5(4H)-one |
title_full_unstemmed | (Z)-3-Methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1H-pyrazol-5(4H)-one |
title_short | (Z)-3-Methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1H-pyrazol-5(4H)-one |
title_sort | (z)-3-methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1h-pyrazol-5(4h)-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793766/ https://www.ncbi.nlm.nih.gov/pubmed/24109353 http://dx.doi.org/10.1107/S1600536813019144 |
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