Information card for entry 2211146

Structure parameters

• Chemical name: (E)-4-(4-methylbenzylideneamino)-1, 5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
• Formula: C19 H19 N3 O
• Calculated formula: C19 H19 N3 O
• SMILES: c1(ccccc1)N1C(=O)C(=C(C)N1C)/N=C/c1ccc(cc1)C
• Title of publication: (<i>E</i>)-1,5-Dimethyl-4-(4-methylbenzylideneamino)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Yang, Ming-Hua; Yang, Guo-Bing; Zheng, Yun-Fa; Zhang, Chun-Niu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4944 - o4945
• a: 6.9966 ± 0.0008 Å
• b: 17.994 ± 0.002 Å
• c: 26.469 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3332.4 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes