Information card for entry 2214223

Structure parameters

• Chemical name: 4-[(<i>Z</i>)-(4-Ethoxyphenylamino)(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(c1ccc(N/C(=C2\C(=O)N(N=C2C)c2ccccc2)c2ccccc2)cc1)CC
• Title of publication: 4-[(<i>Z</i>)-(4-Ethoxyphenylamino)(phenyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Ma, Rui; Chen, Ying; Song, Zhong-Ying; Bai, Yi-Qiong; Bao, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3158 - o3158
• a: 6.9269 ± 0.0009 Å
• b: 10.7876 ± 0.0014 Å
• c: 15.531 ± 0.002 Å
• α: 71.966 ± 0.002°
• β: 78.994 ± 0.002°
• γ: 81.296 ± 0.003°
• Cell volume: 1077.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1024
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.695
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes