Information card for entry 2018153

Structure parameters

• Chemical name: <i>N</i>-(4-acetylphenyl)benzenesulfonamide
• Formula: C14 H13 N O3 S
• Calculated formula: C14 H13 N O3 S
• SMILES: CC(=O)c1ccc(cc1)NS(=O)(=O)c1ccccc1
• Title of publication: The discrete role of chlorine substitutions in the conformation and supramolecular architecture of arylsulfonamides
• Authors of publication: Fernandes, William B.; Aragão, Angelo Q.; Martins, Felipe T.; Noda-Perez, Caridad; Lariucci, Carlito; Napolitano, Hamilton B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o226 - o229
• a: 13.0007 ± 0.0005 Å
• b: 8.3615 ± 0.0004 Å
• c: 12.5179 ± 0.0006 Å
• α: 90°
• β: 98.118 ± 0.003°
• γ: 90°
• Cell volume: 1347.13 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes