Information card for entry 2230500

Structure parameters

• Chemical name: <i>N</i>-(2-Chlorophenylsulfonyl)-2,2-dimethylpropanamide
• Formula: C11 H14 Cl N O3 S
• Calculated formula: C11 H14 Cl N O3 S
• SMILES: c1(c(cccc1)Cl)S(=O)(=O)NC(=O)C(C)(C)C
• Title of publication: <i>N</i>-(2-Chlorophenylsulfonyl)-2,2-dimethylpropanamide
• 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: 6
• Pages of publication: o1400
• a: 8.785 ± 0.001 Å
• b: 8.914 ± 0.001 Å
• c: 9.313 ± 0.001 Å
• α: 103.12 ± 0.01°
• β: 107.14 ± 0.01°
• γ: 94.2 ± 0.01°
• Cell volume: 670.98 ± 0.14 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: 0.0431
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes