Information card for entry 2241629

Structure parameters

• Chemical name: <i>N</i>-(2-Chlorophenylsulfonyl)-4-fluorobenzamide
• Formula: C13 H9 Cl F N O3 S
• Calculated formula: C13 H9 Cl F N O3 S
• SMILES: S(=O)(=O)(NC(=O)c1ccc(F)cc1)c1ccccc1Cl
• 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: 7.9009 ± 0.0002 Å
• b: 9.0775 ± 0.0003 Å
• c: 18.4216 ± 0.0005 Å
• α: 90°
• β: 99.801 ± 0.001°
• γ: 90°
• Cell volume: 1301.92 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No