Information card for entry 2231872

Structure parameters

• Chemical name: (<i>Z</i>)-4-[(2-Aminoanilino)(phenyl)methylidene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C23 H20 N4 O
• Calculated formula: C23 H20 N4 O
• SMILES: N1(N=C(/C(C1=O)=C(/Nc1c(N)cccc1)c1ccccc1)C)c1ccccc1
• Title of publication: (<i>Z</i>)-4-[(2-Aminoanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Lu, Rong; Xia, Hua; Lü, Xingqiang; Zhao, Shunsheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2701
• a: 9.2 ± 0.002 Å
• b: 21.68 ± 0.005 Å
• c: 9.608 ± 0.002 Å
• α: 90°
• β: 97.84 ± 0.004°
• γ: 90°
• Cell volume: 1898.5 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes