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(4Z)-4-[(2E)-1-Hydroxy-3-(3-nitrophenyl)prop-2-en-1-ylidene]-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5(4H)-one
In the title compound, C(20)H(17)N(3)O(4), the dihedral angles between the heterocyclic ring and the toluene and nitrobenzene rings are 4.21 (15) and 11.43 (14)°, respectively. The whole molecule is close to planar (r.m.s. deviation for the 27 non-H atoms = 0.171 Å). Two S(6) rings are formed due...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393312/ https://www.ncbi.nlm.nih.gov/pubmed/22807869 http://dx.doi.org/10.1107/S1600536812025238 |
Sumario: | In the title compound, C(20)H(17)N(3)O(4), the dihedral angles between the heterocyclic ring and the toluene and nitrobenzene rings are 4.21 (15) and 11.43 (14)°, respectively. The whole molecule is close to planar (r.m.s. deviation for the 27 non-H atoms = 0.171 Å). Two S(6) rings are formed due to intramolecular C—H⋯O and O—H⋯O hydrogen bonds. In the crystal, inversion dimers linked by pairs of C—H⋯O bonds generate R (2) (2)(10) loops and further C—H⋯O bonds link the dimers along the b-axis direction. There exist π–π interactions between the heterocyclic rings at a centroid–centroid distance of 3.7126 (10) Å and between the centroids of the benzene rings at a distance of 3.8710 (16) Å. |
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