Information card for entry 2235274

Structure parameters

• Chemical name: 4-[(3-Hydroxyanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>- pyrazol-5(4<i>H</i>)-one
• Formula: C23 H19 N3 O2
• Calculated formula: C23 H19 N3 O2
• SMILES: c1(cccc(c1)NC(c1ccccc1)=C1C(=NN(C1=O)c1ccccc1)C)O
• Title of publication: 4-[(3-Hydroxyanilino)(phenyl)methylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Saida, Keraghel; Fatiha, Benghanem; Ouarda, Dehbi; Ali, Ourari; Kamel, Ouari; Brelot, Lydia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1909 - o1910
• a: 9.5239 ± 0.0003 Å
• b: 10.4564 ± 0.0004 Å
• c: 10.812 ± 0.0004 Å
• α: 66.87 ± 0.001°
• β: 72.208 ± 0.001°
• γ: 72.908 ± 0.001°
• Cell volume: 924.04 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes