Information card for entry 2207328

Structure parameters

• Chemical name: [R-(R*,S*)]-2,2-Dichloro-N-[1-(fluoromethyl)-2-hydroxy-2-[4- (methylsulfonyl)phenyl]ethylacetamide
• Formula: C12 H13 Cl2 F N O4 S
• Calculated formula: C12 H13 Cl2 F N O4 S
• Title of publication: 2,2-Dichloro-<i>N</i>-{[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}acetamide
• Authors of publication: Jing Cheng; Neng-Xue Wang; Guang-Fu Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3628 - o3629
• a: 11.2407 ± 0.0018 Å
• b: 5.0994 ± 0.0008 Å
• c: 13.412 ± 0.002 Å
• α: 90°
• β: 103.499 ± 0.003°
• γ: 90°
• Cell volume: 747.5 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes