Information card for entry 1543875

Structure parameters

• Chemical name: 4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide
• Formula: C12 H9 Br F N O2 S
• Calculated formula: C12 H9 Br F N O2 S
• SMILES: c1(ccc(cc1)S(=O)(=O)Nc1ccc(cc1)F)Br
• Title of publication: 4-Bromo-<i>N</i>-(4-fluorophenyl)benzenesulfonamide
• Authors of publication: Rodrigues, Vinola Z.; Suchetan, P. A.; Saritha, L.; Lokanath, N. K.; Naveen, S.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 8
• Pages of publication: x161256
• a: 19.7608 ± 0.0006 Å
• b: 12.4156 ± 0.0004 Å
• c: 5.0776 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1245.75 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes