Information card for entry 2219479

Structure parameters

• Chemical name: 4-[(Ethoxyimino)(phenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one
• Formula: C19 H19 N3 O2
• Calculated formula: C19 H19 N3 O2
• SMILES: N(=C(C1C(=O)N(NC=1C)c1ccccc1)\c1ccccc1)/OCC
• Title of publication: 4-[(Ethoxyimino)(phenyl)methyl]-5-methyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Wang, Jiu-Si; Jiang, Yan-Ling; Dong, Wen-Kui; Xu, Li; Kong, Ai-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1794
• a: 13.0046 ± 0.0015 Å
• b: 11.4657 ± 0.0011 Å
• c: 11.6874 ± 0.0012 Å
• α: 90°
• β: 99.453 ± 0.001°
• γ: 90°
• Cell volume: 1719 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0926
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes