Information card for entry 2207914

Structure parameters

• Chemical name: 4-[(4-Methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
• Formula: C19 H19 N3 O2
• Calculated formula: C19 H19 N3 O2
• SMILES: O(C)c1ccc(cc1)/C=N/C1=C(N(N(C1=O)c1ccccc1)C)C
• Title of publication: 4-[(4-Methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Jing, Zuo-Liang; Guo, Min-Jie; Chen, Xin; Yu Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o313 - o315
• a: 7.1407 ± 0.001 Å
• b: 24.864 ± 0.003 Å
• c: 9.4733 ± 0.0013 Å
• α: 90°
• β: 96.7 ± 0.002°
• γ: 90°
• Cell volume: 1670.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes