Information card for entry 2226053

Structure parameters

• Chemical name: <i>N</i>-(Phenylsulfonyl)acetamide
• Formula: C8 H9 N O3 S
• Calculated formula: C8 H9 N O3 S
• SMILES: c1(ccccc1)S(=O)(=O)NC(=O)C
• Title of publication: <i>N</i>-(Phenylsulfonyl)acetamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1284
• a: 7.94 ± 0.0005 Å
• b: 7.94 ± 0.0005 Å
• c: 15.288 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 963.81 ± 0.15 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes