Information card for entry 2226179

Structure parameters

• Chemical name: 4-[(<i>Z</i>)-Allylamino(phenyl)methylene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C20 H19 N3 O
• Calculated formula: C20 H19 N3 O
• SMILES: C=CCN/C(=C1/C(=NN(C1=O)c1ccccc1)C)c1ccccc1
• Title of publication: 4-[(<i>Z</i>)-Allylamino(phenyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Xu, Hai-Zhen; Yang, Yan-Xia; Yan, Jing; Zhu, You-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1309
• a: 9.295 ± 0.001 Å
• b: 9.844 ± 0.0012 Å
• c: 10.067 ± 0.0014 Å
• α: 86.175 ± 0.008°
• β: 89.28 ± 0.009°
• γ: 74.329 ± 0.007°
• Cell volume: 884.9 ± 0.19 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: 0.0805
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes