Information card for entry 2241213

Structure parameters

• Chemical name: <i>N</i>-(4-Fluorophenyl)-4-methoxybenzenesulfonamide
• Formula: C13 H12 F N O3 S
• Calculated formula: C13 H12 F N O3 S
• SMILES: S(=O)(=O)(Nc1ccc(F)cc1)c1ccc(OC)cc1
• Title of publication: Crystal structures of 4-methoxy-<i>N</i>-(4-methylphenyl)benzenesulfonamide and <i>N</i>-(4-fluorophenyl)-4-methoxybenzenesulfonamide
• Authors of publication: Rodrigues, Vinola Z.; Preema, C. P.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: 1388 - 1391
• a: 20.2188 ± 0.0013 Å
• b: 12.1199 ± 0.0008 Å
• c: 5.177 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1268.62 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes