Information card for entry 2206625

Structure parameters

• Chemical name: 4-[(4-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2- dihydropyrazol-3-one
• Formula: C19 H19 N3 O3
• Calculated formula: C19 H19 N3 O3
• SMILES: c1(cc(ccc1O)/C=N/C1=C(C)N(C)N(C1=O)c1ccccc1)OC
• Title of publication: 4-[(4-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one
• Authors of publication: Wen, Puhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2918 - o2920
• a: 6.7467 ± 0.0011 Å
• b: 14.609 ± 0.002 Å
• c: 17.785 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1752.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes