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Crystal structure of 4-[(E)-(4-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
The asymmetric unit of the title compound, C(18)H(17)N(3)O(2), comprises three independent molecules (1, 2 and 3). In molecule 1, the dihedral angles between the pyrazolone ring and the pendant phenyl and hydroxybenzene rings are 54.43 (6) and 28.72 (6)°, respectively. The corresponding data for m...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719916/ https://www.ncbi.nlm.nih.gov/pubmed/26870544 http://dx.doi.org/10.1107/S2056989015021325 |
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author | Mague, Joel T. Akkurt, Mehmet Mohamed, Shaaban K. Mohamed, Alaa F. Albayati, Mustafa R. |
author_facet | Mague, Joel T. Akkurt, Mehmet Mohamed, Shaaban K. Mohamed, Alaa F. Albayati, Mustafa R. |
author_sort | Mague, Joel T. |
collection | PubMed |
description | The asymmetric unit of the title compound, C(18)H(17)N(3)O(2), comprises three independent molecules (1, 2 and 3). In molecule 1, the dihedral angles between the pyrazolone ring and the pendant phenyl and hydroxybenzene rings are 54.43 (6) and 28.72 (6)°, respectively. The corresponding data for molecule 2 are 86.84 (6) and 25.69 (5)°, respectively, and for molecule 3 are 47.41 (7) and 17.09 (7)°, respectively. The three molecules feature an intramolecular C—H⋯O interaction, which closes an S(6) ring in each case. In the crystal, molecules are linked by O—H⋯O hydrogen bonds, which generate [100] chains incorporating all three asymmetric molecules. Two weak C—H⋯O interactions connect three independent molecules to each other along the c-axis direction. |
format | Online Article Text |
id | pubmed-4719916 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47199162016-02-11 Crystal structure of 4-[(E)-(4-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one Mague, Joel T. Akkurt, Mehmet Mohamed, Shaaban K. Mohamed, Alaa F. Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Data Reports The asymmetric unit of the title compound, C(18)H(17)N(3)O(2), comprises three independent molecules (1, 2 and 3). In molecule 1, the dihedral angles between the pyrazolone ring and the pendant phenyl and hydroxybenzene rings are 54.43 (6) and 28.72 (6)°, respectively. The corresponding data for molecule 2 are 86.84 (6) and 25.69 (5)°, respectively, and for molecule 3 are 47.41 (7) and 17.09 (7)°, respectively. The three molecules feature an intramolecular C—H⋯O interaction, which closes an S(6) ring in each case. In the crystal, molecules are linked by O—H⋯O hydrogen bonds, which generate [100] chains incorporating all three asymmetric molecules. Two weak C—H⋯O interactions connect three independent molecules to each other along the c-axis direction. International Union of Crystallography 2015-11-14 /pmc/articles/PMC4719916/ /pubmed/26870544 http://dx.doi.org/10.1107/S2056989015021325 Text en © Mague et al. 2015 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 | Data Reports Mague, Joel T. Akkurt, Mehmet Mohamed, Shaaban K. Mohamed, Alaa F. Albayati, Mustafa R. Crystal structure of 4-[(E)-(4-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title | Crystal structure of 4-[(E)-(4-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_full | Crystal structure of 4-[(E)-(4-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_fullStr | Crystal structure of 4-[(E)-(4-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_full_unstemmed | Crystal structure of 4-[(E)-(4-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_short | Crystal structure of 4-[(E)-(4-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_sort | crystal structure of 4-[(e)-(4-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1h-pyrazol-3(2h)-one |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719916/ https://www.ncbi.nlm.nih.gov/pubmed/26870544 http://dx.doi.org/10.1107/S2056989015021325 |
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