Information card for entry 1543144

Structure parameters

• Chemical name: 4-Bromo-<i>N</i>-(4-bromophenyl)benzenesulfonamide
• Formula: C12 H9 Br2 N O2 S
• Calculated formula: C12 H9 Br2 N O2 S
• SMILES: c1(ccc(cc1)Br)S(=O)(=O)Nc1ccc(cc1)Br
• Title of publication: 4-Bromo-<i>N</i>-(4-bromophenyl)benzenesulfonamide
• Authors of publication: Rodrigues, Vinola Z.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160631
• a: 5.0643 ± 0.0003 Å
• b: 12.8006 ± 0.0007 Å
• c: 20.554 ± 0.0011 Å
• α: 90°
• β: 91.076 ± 0.002°
• γ: 90°
• Cell volume: 1332.2 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes