Information card for entry 2212726

Structure parameters

• Chemical name: (E)-4-(2-Hydroxy-4-methoxybenzylideneamino)-1,5-dimethyl-2-phenyl- 1H-pyrazol-3(2H)-one
• Formula: C19 H19 N3 O3
• Calculated formula: C19 H19 N3 O3
• SMILES: C(=N/c1c(C)n(C)n(c1=O)c1ccccc1)\c1ccc(cc1O)OC
• Title of publication: (<i>E</i>)-4-(2-Hydroxy-4-methoxybenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Chu-Niu Zhang; Ming-Hua Yang; Guo-Bin Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1245 - o1246
• a: 10.0306 ± 0.0009 Å
• b: 7.5903 ± 0.0007 Å
• c: 22.248 ± 0.002 Å
• α: 90°
• β: 93.021 ± 0.002°
• γ: 90°
• Cell volume: 1691.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes