Information card for entry 2223142

Structure parameters

• Chemical name: 4-[(2-Methyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene)methyl]phenyl acetate
• Formula: C13 H11 N O4
• Calculated formula: C13 H11 N O4
• SMILES: N1=C(OC(=O)/C1=C/c1ccc(OC(=O)C)cc1)C
• Title of publication: 4-[(2-Methyl-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene)methyl]phenyl acetate
• Authors of publication: Guo, Pengran; Wang, Chang; Chen, Jianghan; Mou, Dehai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2215
• a: 5.5802 ± 0.0015 Å
• b: 7.446 ± 0.002 Å
• c: 15.012 ± 0.004 Å
• α: 94.322 ± 0.004°
• β: 93.156 ± 0.004°
• γ: 108.136 ± 0.004°
• Cell volume: 589 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0804
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes