Information card for entry 2226212

Structure parameters

• Chemical name: 2,2-Dichloro-1-[(2<i>R</i>,5<i>S</i>)-5-ethyl-2-methyl-2-propyl- 1,3-oxazolidin-3-yl]ethanone
• Formula: C11 H19 Cl2 N O2
• Calculated formula: C11 H19 Cl2 N O2
• SMILES: C(C(=O)N1C[C@H](CC)O[C@]1(C)CCC)(Cl)Cl
• Title of publication: 2,2-Dichloro-1-[(2<i>R</i>,5<i>S</i>)-5-ethyl-2-methyl-2-propyl-1,3-oxazolidin-3-yl]ethanone
• Authors of publication: Fu, Ying; Ye, Fei; Wen, Xiaotian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1293
• a: 6.4834 ± 0.0012 Å
• b: 10.795 ± 0.002 Å
• c: 20.03 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1401.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1224
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes