Information card for entry 2225052

Structure parameters

• Chemical name: 2,2-Dichloro-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone
• Formula: C11 H11 Cl2 N O2
• Calculated formula: C11 H11 Cl2 N O2
• SMILES: ClC(Cl)C(=O)N1CCOC1c1ccccc1
• Title of publication: 2,2-Dichloro-1-(2-phenyl-1,3-oxazolidin-3-yl)ethanone
• Authors of publication: Ye, Fei; Fu, Ying; Zhao, Shuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o445
• a: 19.1775 ± 0.0013 Å
• b: 10.6165 ± 0.0007 Å
• c: 11.3723 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2315.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes