Information card for entry 2223747

Structure parameters

• Chemical name: (4<i>Z</i>)-4-[(4-Methoxybenzylamino)(phenyl)methylene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C25 H23 N3 O2
• Calculated formula: C25 H23 N3 O2
• SMILES: O=C1N(N=C(/C1=C(/NCc1ccc(OC)cc1)c1ccccc1)C)c1ccccc1
• Title of publication: (4<i>Z</i>)-4-[(4-Methoxybenzylamino)(phenyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Xu, Hai-Zhen; Xu, Jian-Ping; Zhang, Jin; Yuan, Yan-Wei; Zhu, You-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2740
• a: 17.685 ± 0.004 Å
• b: 11.613 ± 0.002 Å
• c: 20.568 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4224.2 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes