Information card for entry 2224764

Structure parameters

• Chemical name: (4<i>Z</i>)-4-[(4-Chloroanilino)(phenyl)methylene]-3- methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C23 H18 Cl N3 O
• Calculated formula: C23 H18 Cl N3 O
• SMILES: Clc1ccc(N/C(c2ccccc2)=C2\C(=O)N(N=C2C)c2ccccc2)cc1
• Title of publication: (4<i>Z</i>)-4-[(4-Chloroanilino)(phenyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Chi, Xiaodong; Xiao, Jing; Yin, Yuhong; Xia, Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o249
• a: 7.4305 ± 0.0015 Å
• b: 11.069 ± 0.002 Å
• c: 13.518 ± 0.003 Å
• α: 109.28 ± 0.03°
• β: 98.78 ± 0.03°
• γ: 105.08 ± 0.03°
• Cell volume: 978 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes