Information card for entry 2207080

Structure parameters

• Chemical name: 3-Benzoyl-1,3-oxazolidin-2-one
• Formula: C10 H9 N O3
• Calculated formula: C10 H9 N O3
• SMILES: O=C1OCCN1C(=O)c1ccccc1
• Title of publication: 3-Benzoyl-1,3-oxazolidin-2-one
• Authors of publication: Jing-Li Cheng; Cheng-Xia Tan; Guo-Nian Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3194 - o3195
• a: 13.305 ± 0.007 Å
• b: 5.676 ± 0.004 Å
• c: 12.455 ± 0.006 Å
• α: 90°
• β: 107.784 ± 0.016°
• γ: 90°
• Cell volume: 895.6 ± 0.9 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes