Information card for entry 2229253

Structure parameters

• Chemical name: 2,2-Dimethyl-<i>N</i>-(2-methylphenylsulfonyl)propanamide
• Formula: C12 H17 N O3 S
• Calculated formula: C12 H17 N O3 S
• SMILES: c1(c(cccc1)C)S(=O)(=O)NC(=O)C(C)(C)C
• Title of publication: 2,2-Dimethyl-<i>N</i>-(2-methylphenylsulfonyl)propanamide
• 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: 2
• Pages of publication: o536
• a: 7.3827 ± 0.0006 Å
• b: 21.986 ± 0.002 Å
• c: 8.606 ± 0.0008 Å
• α: 90°
• β: 97.158 ± 0.009°
• γ: 90°
• Cell volume: 1386 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes