Information card for entry 2241628

Structure parameters

• Chemical name: 4-Fluoro-<i>N</i>-(2-methylphenylsulfonyl)benzamide
• Formula: C14 H12 F N O3 S
• Calculated formula: C14 H12 F N O3 S
• SMILES: S(=O)(=O)(NC(=O)c1ccc(F)cc1)c1c(cccc1)C
• Title of publication: Crystal structures of three <i>N</i>-(arylsulfonyl)-4-fluorobenzamides
• Authors of publication: Suchetan, P. A.; Naveen, S.; Lokanath, N. K.; Srivishnu, K. S.; Supriya, G. M.; Lakshmikantha, H. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 575 - 582
• a: 10.0259 ± 0.0003 Å
• b: 12.4289 ± 0.0003 Å
• c: 21.6241 ± 0.0006 Å
• α: 90°
• β: 92.443 ± 0.001°
• γ: 90°
• Cell volume: 2692.15 ± 0.13 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: 0.0423
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No