Information card for entry 2218915

Structure parameters

• Chemical name: 2,2-Dichloro-<i>N</i>-(4-methylphenylsulfonyl)acetamide
• Formula: C9 H9 Cl2 N O3 S
• Calculated formula: C9 H9 Cl2 N O3 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)NC(=O)C(Cl)Cl
• Title of publication: 2,2-Dichloro-<i>N</i>-(4-methylphenylsulfonyl)acetamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Sowmya, B. P.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1492
• a: 9.658 ± 0.0008 Å
• b: 10.3177 ± 0.0008 Å
• c: 23.067 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2298.6 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes