Information card for entry 2229359

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-[(2-methylphenyl)sulfonyl]acetamide
• Formula: C9 H10 Cl N O3 S
• Calculated formula: C9 H10 Cl N O3 S
• SMILES: c1(c(cccc1)C)S(=O)(=O)NC(=O)CCl
• Title of publication: 2-Chloro-<i>N</i>-[(2-methylphenyl)sulfonyl]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: 3
• Pages of publication: o549
• a: 7.4439 ± 0.0008 Å
• b: 7.5195 ± 0.0008 Å
• c: 10.519 ± 0.001 Å
• α: 93.64 ± 0.01°
• β: 109.72 ± 0.01°
• γ: 102.52 ± 0.01°
• Cell volume: 535.07 ± 0.11 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: 0.0553
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes