Information card for entry 2212881

Structure parameters

• Chemical name: 4-Bromo-N-8-quinolylbenzenesulfonamide
• Formula: C15 H11 Br N2 O2 S
• Calculated formula: C15 H11 Br N2 O2 S
• SMILES: Brc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1
• Title of publication: 4-Bromo-<i>N</i>-(8-quinolyl)benzenesulfonamide
• Authors of publication: Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1648 - o1649
• a: 6.78 ± 0.001 Å
• b: 14.253 ± 0.003 Å
• c: 15.232 ± 0.004 Å
• α: 90°
• β: 100.43 ± 0.02°
• γ: 90°
• Cell volume: 1447.6 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.1167
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2591
• Weighted residual factors for all reflections included in the refinement: 0.273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes