Information card for entry 2221442

Structure parameters

• Chemical name: 4-(2-Methoxybenzylidene)-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one
• Formula: C17 H13 N O3
• Calculated formula: C17 H13 N O3
• SMILES: O1C(=O)C(=C\c2c(OC)cccc2)\N=C1c1ccccc1
• Title of publication: 4-(2-Methoxybenzylidene)-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one
• Authors of publication: Asiri, Abdullah Mohamed; Akkurt, Mehmet; Khan, Islam Ullah; Arshad, Muhammad N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o842
• a: 8.8073 ± 0.0006 Å
• b: 9.614 ± 0.0006 Å
• c: 9.8272 ± 0.0006 Å
• α: 66.503 ± 0.004°
• β: 67.248 ± 0.004°
• γ: 71.734 ± 0.004°
• Cell volume: 691.14 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1506
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes