Information card for entry 2008013

Structure parameters

• Common name: N,N-diethylphenylsulfonylacetamide
• Formula: C12 H17 N O3 S
• Calculated formula: C12 H17 N O3 S
• SMILES: c1(ccccc1)S(=O)(=O)CC(=O)N(CC)CC
• Title of publication: <i>N</i>,<i>N</i>-Diethylphenylsulfonylacetamide
• Authors of publication: Céard, Sophie; Gaumet, Vincent; Roche, Danielle; Métin, Jacques; Madesclaire, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: IUC9800067
• a: 8.13 ± 0.003 Å
• b: 9.425 ± 0.001 Å
• c: 9.748 ± 0.007 Å
• α: 86.13 ± 0.02°
• β: 73.38 ± 0.03°
• γ: 66.463 ± 0.019°
• Cell volume: 655.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No