Information card for entry 2230162

Structure parameters

• Chemical name: <i>N</i>-(2-Chlorophenylsulfonyl)acetamide
• Formula: C8 H8 Cl N O3 S
• Calculated formula: C8 H8 Cl N O3 S
• SMILES: CC(=O)NS(=O)(=O)c1ccccc1Cl
• Title of publication: <i>N</i>-(2-Chlorophenylsulfonyl)acetamide
• 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: 5
• Pages of publication: o1097
• a: 11.215 ± 0.002 Å
• b: 9.393 ± 0.002 Å
• c: 19.655 ± 0.003 Å
• α: 90°
• β: 98.61 ± 0.02°
• γ: 90°
• Cell volume: 2047.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1541
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes