Information card for entry 2207202

Structure parameters

• Chemical name: (E)-4-[4-(Benzyloxy)-3-methoxybenzylideneamino]-1,5-dimethyl-2-phenyl-1H- pyrazol-3(2H)-one
• Formula: C26 H25 N3 O3
• Calculated formula: C26 H25 N3 O3
• SMILES: O(Cc1ccccc1)c1c(OC)cc(cc1)/C=N/C1C(=O)N(N(C=1C)C)c1ccccc1
• Title of publication: (<i>E</i>)-4-[4-(Benzyloxy)-3-methoxybenzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Shi Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3893 - o3894
• a: 9.432 ± 0.002 Å
• b: 9.55 ± 0.002 Å
• c: 12.711 ± 0.003 Å
• α: 83.986 ± 0.004°
• β: 84.986 ± 0.003°
• γ: 78.772 ± 0.004°
• Cell volume: 1114.2 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes