Information card for entry 2205081

Structure parameters

• Formula: C19 H21 N3 O3
• Calculated formula: C19 H21 N3 O3
• SMILES: O=C1N(N(C(=C1/N=C/c1ccc(O)cc1)C)C)c1ccccc1.OC
• Title of publication: 4-[(4-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one methanol solvate
• Authors of publication: Zhang, Xin-Li; Li, Zong-Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o266 - o268
• a: 13.68 ± 0.009 Å
• b: 6.916 ± 0.005 Å
• c: 19.968 ± 0.014 Å
• α: 90°
• β: 108.292 ± 0.011°
• γ: 90°
• Cell volume: 1794 ± 2 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: 0.1228
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes