Information card for entry 2209671

Structure parameters

• Chemical name: N-(5,7-Dibromo-8-quinolyl)-3,5-difluorobenzenesulfonamide
• Formula: C21 H10 Br2 F4 N2 O4 S2
• Calculated formula: C21 H10 Br2 F4 N2 O4 S2
• SMILES: c1(c(cc(c2cccnc12)Br)Br)N(S(=O)(=O)c1cc(cc(c1)F)F)S(=O)(=O)c1cc(cc(c1)F)F
• Title of publication: <i>N</i>-(5,7-Dibromo-8-quinolyl)-3,5-difluorobenzenesulfonamide
• Authors of publication: Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2630 - o2631
• a: 9.758 ± 0.001 Å
• b: 24.091 ± 0.002 Å
• c: 9.851 ± 0.001 Å
• α: 90°
• β: 99.56 ± 0.01°
• γ: 90°
• Cell volume: 2283.6 ± 0.4 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• 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: 0.06
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes