Information card for entry 2231628

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenylsulfonyl)-2-methylpropanamide
• Formula: C10 H12 Cl N O3 S
• Calculated formula: C10 H12 Cl N O3 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)NC(=O)C(C)C
• Title of publication: <i>N</i>-(4-Chlorophenylsulfonyl)-2-methylpropanamide
• Authors of publication: Nirmala, P. G.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2274
• a: 6.207 ± 0.001 Å
• b: 10.395 ± 0.003 Å
• c: 10.497 ± 0.003 Å
• α: 70.15 ± 0.002°
• β: 79.16 ± 0.002°
• γ: 86.01 ± 0.002°
• Cell volume: 625.7 ± 0.3 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: 0.0896
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes