Information card for entry 2231011

Structure parameters

• Chemical name: 2,2-Dimethyl-<i>N</i>-(2-methylphenylsulfonyl)acetamide
• Formula: C11 H15 N O3 S
• Calculated formula: C11 H15 N O3 S
• SMILES: O=C(C(C)C)NS(=O)(=O)c1ccccc1C
• Title of publication: 2,2-Dimethyl-<i>N</i>-(2-methylphenylsulfonyl)acetamide
• Authors of publication: Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2055
• a: 11.829 ± 0.001 Å
• b: 16.351 ± 0.001 Å
• c: 13.351 ± 0.001 Å
• α: 90°
• β: 96.485 ± 0.008°
• γ: 90°
• Cell volume: 2565.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes