Information card for entry 2221470

Structure parameters

• Chemical name: 4-(4-Ethoxybenzyl)-1,3-oxazolidin-2-one
• Formula: C12 H15 N O3
• Calculated formula: C12 H15 N O3
• SMILES: N1[C@H](Cc2ccc(OCC)cc2)COC1=O
• Title of publication: 4-(4-Ethoxybenzyl)-1,3-oxazolidin-2-one
• Authors of publication: Wang, Hong-Yong; Xie, Min-Hao; Luo, Shi-Neng; He, Yong-Jun; Zou, Pei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o805
• a: 5.796 ± 0.0012 Å
• b: 9.924 ± 0.002 Å
• c: 20.209 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1162.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes