Information card for entry 2235454

Structure parameters

• Chemical name: <i>N</i>-[(4-Methylphenyl)sulfonyl]acetamide
• Formula: C9 H11 N O3 S
• Calculated formula: C9 H11 N O3 S
• SMILES: S(=O)(=O)(NC(=O)C)c1ccc(C)cc1
• Title of publication: <i>N</i>-[(4-Methylphenyl)sulfonyl]acetamide
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Hegde, Poornima; Jyothi, K.; D'Souza, Pramila Rita
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2025
• a: 9.2514 ± 0.0006 Å
• b: 5.19 ± 0.0003 Å
• c: 20.5873 ± 0.0013 Å
• α: 90°
• β: 95.07 ± 0.002°
• γ: 90°
• Cell volume: 984.63 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 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: 0.0422
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes