Information card for entry 2207366

Structure parameters

• Chemical name: 4-[(3-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
• Formula: C18 H17 N3 O2
• Calculated formula: C18 H17 N3 O2
• SMILES: O=C1N(N(C(=C1/N=C/c1cc(O)ccc1)C)C)c1ccccc1
• Title of publication: 4-[(3-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Jing, Zuo-Liang; Fan, Zhi; Yu, Ming; Chen, Xin; Diao, Chun-Hua; Deng, Qi-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3532 - o3533
• a: 12.885 ± 0.008 Å
• b: 7.012 ± 0.004 Å
• c: 17.109 ± 0.01 Å
• α: 90°
• β: 90.204 ± 0.008°
• γ: 90°
• Cell volume: 1545.8 ± 1.6 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: 0.066
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No