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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 |
Sumario: | 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. |
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