Information card for entry 2218744

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenylsulfonyl)-2,2,2-trimethylacetamide
• Formula: C11 H14 Cl N O3 S
• Calculated formula: C11 H14 Cl N O3 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)NC(=O)C(C)(C)C
• Title of publication: <i>N</i>-(4-Chlorophenylsulfonyl)-2,2,2-trimethylacetamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Sowmya, B. P.; Nirmala, P. G.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1279
• a: 6.034 ± 0.002 Å
• b: 10.695 ± 0.002 Å
• c: 11.134 ± 0.002 Å
• α: 67.13 ± 0.02°
• β: 79.76 ± 0.02°
• γ: 88.46 ± 0.02°
• Cell volume: 650.8 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0683
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes