Information card for entry 2240318

Structure parameters

• Chemical name: (<i>Z</i>)-4-[1-(4-Acetylanilino)ethylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C20 H19 N3 O2
• Calculated formula: C20 H19 N3 O2
• SMILES: c1(ccccc1)N1C(=O)/C(C(=N1)C)=C(\Nc1ccc(cc1)C(=O)C)C
• Title of publication: Crystal structure of (<i>Z</i>)-4-[1-(4-acetylanilino)ethylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Mahfouz, Refaat M.; Demircioğlu, Zeynep; Abbady, Mohamed S.; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: 94 - 96
• a: 11.8549 ± 0.0004 Å
• b: 11.607 ± 0.0005 Å
• c: 13.1591 ± 0.0005 Å
• α: 90°
• β: 107.425 ± 0.003°
• γ: 90°
• Cell volume: 1727.6 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.069
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes