Information card for entry 2207362

Structure parameters

• Chemical name: N-(5,7-Dibromo-8-quinolyl)-4-fluorobenzenesulfonamide
• Formula: C15 H9 Br2 F N2 O2 S
• Calculated formula: C15 H9 Br2 F N2 O2 S
• SMILES: c1(c(cc(c2cccnc12)Br)Br)NS(=O)(=O)c1ccc(cc1)F
• Title of publication: <i>N</i>-(5,7-Dibromo-8-quinolyl)-4-fluorobenzenesulfonamide
• Authors of publication: da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3782 - o3783
• a: 18.636 ± 0.001 Å
• b: 4.9871 ± 0.0007 Å
• c: 17.914 ± 0.001 Å
• α: 90°
• β: 110.628 ± 0.007°
• γ: 90°
• Cell volume: 1558.2 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes