Information card for entry 2219149

Structure parameters

• Chemical name: 2,2,2-Trimethyl-<i>N</i>-(phenylsulfonyl)acetamide
• Formula: C11 H15 N O3 S
• Calculated formula: C11 H15 N O3 S
• SMILES: c1(ccccc1)S(=O)(=O)NC(=O)C(C)(C)C
• Title of publication: 2,2,2-Trimethyl-<i>N</i>-(phenylsulfonyl)acetamide
• 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: 8
• Pages of publication: o1410
• a: 12.3045 ± 0.0009 Å
• b: 11.3016 ± 0.0007 Å
• c: 18.466 ± 0.001 Å
• α: 90°
• β: 103.117 ± 0.006°
• γ: 90°
• Cell volume: 2500.9 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes