Information card for entry 2234455

Structure parameters

• Chemical name: 4-[(3-Methoxyanilino)methylidene]-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one
• Formula: C17 H14 N2 O3
• Calculated formula: C17 H14 N2 O3
• SMILES: c1ccccc1C1=NC(C(=O)O1)=CNc1cccc(c1)OC
• Title of publication: 4-[(3-Methoxyanilino)methylidene]-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one
• Authors of publication: Huang, Wan-Yun; Zhang, Ye; Hu, Kun; Lin, Qing-Mei; Liu, Xian-Xian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1008
• a: 6.6085 ± 0.0005 Å
• b: 7.1887 ± 0.0005 Å
• c: 15.3659 ± 0.001 Å
• α: 98.629 ± 0.005°
• β: 94.096 ± 0.005°
• γ: 108.715 ± 0.006°
• Cell volume: 677.96 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes