Information card for entry 2214894

Structure parameters

• Chemical name: 4-(2-Hydroxy-3-methylbenzylideneamino)-2,3-dimethyl-1-phenyl-1H-pyrazol- 5(2H)-one
• Formula: C19 H19 N3 O2
• Calculated formula: C19 H19 N3 O2
• SMILES: O=C1N(N(C(=C1/N=C/c1c(O)c(ccc1)C)C)C)c1ccccc1
• Title of publication: 4-(2-Hydroxy-3-methylbenzylideneamino)-2,3-dimethyl-1-phenyl-1<i>H</i>-pyrazol-5(2<i>H</i>)-one
• Authors of publication: Chun-Niu Zhang; Yun-Fa Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3421 - o3421
• a: 7.5655 ± 0.0019 Å
• b: 7.5713 ± 0.0019 Å
• c: 29.146 ± 0.007 Å
• α: 90°
• β: 92.006 ± 0.004°
• γ: 90°
• Cell volume: 1668.5 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes