Information card for entry 2020429

Structure parameters

• Chemical name: <i>N</i>-(3-Fluorobenzoyl)-4-methylbenzenesulfonamide
• Formula: C14 H12 F N O3 S
• Calculated formula: C14 H12 F N O3 S
• SMILES: S(=O)(=O)(NC(=O)c1cc(F)ccc1)c1ccc(cc1)C
• Title of publication: Crystal structures of <i>N</i>-(3-fluorobenzoyl)benzenesulfonamide and <i>N</i>-(3-fluorobenzoyl)-4-methylbenzenesulfonamide
• Authors of publication: Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Lakshmikantha, H. N.; Srivishnu, K. S.; Supriya, G. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 428 - 431
• a: 9.0376 ± 0.0004 Å
• b: 12.2912 ± 0.0005 Å
• c: 12.1377 ± 0.0005 Å
• α: 90°
• β: 105.107 ± 0.002°
• γ: 90°
• Cell volume: 1301.7 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes