Information card for entry 2229360

Structure parameters

• Chemical name: <i>N</i>-(2-Chlorophenylsulfonyl)-2-methylpropanamide
• Formula: C10 H12 Cl N O3 S
• Calculated formula: C10 H12 Cl N O3 S
• SMILES: c1(c(cccc1)Cl)S(=O)(=O)NC(=O)C(C)C
• Title of publication: <i>N</i>-(2-Chlorophenylsulfonyl)-2-methylpropanamide
• 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: 3
• Pages of publication: o595
• a: 8.365 ± 0.001 Å
• b: 8.719 ± 0.001 Å
• c: 9.143 ± 0.001 Å
• α: 92.74 ± 0.01°
• β: 104.22 ± 0.01°
• γ: 108.75 ± 0.01°
• Cell volume: 606.24 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes