Information card for entry 2234233

Structure parameters

• Chemical name: (4<i>Z</i>)-4-Benzylidene-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one
• Formula: C17 H13 N O2
• Calculated formula: C17 H13 N O2
• SMILES: O1C(=N/C(=C\c2ccccc2)C1=O)c1ccc(cc1)C
• Title of publication: (4<i>Z</i>)-4-Benzylidene-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one
• Authors of publication: Asiri, Abdullah M.; Faidallah, Hassan M.; Sobahi, Tariq R.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1154
• a: 12.0827 ± 0.0006 Å
• b: 7.7848 ± 0.0003 Å
• c: 27.6527 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2601.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes