Information card for entry 2207559

Structure parameters

• Chemical name: 4-Fluoro-N-(quinolin-8-yl)benzenesulfonamide
• Formula: C15 H11 F N2 O2 S
• Calculated formula: C15 H11 F N2 O2 S
• SMILES: c1(cccc2cccnc12)NS(=O)(=O)c1ccc(cc1)F
• Title of publication: 4-Fluoro-<i>N</i>-(quinolin-8-yl)benzenesulfonamide
• 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: 12
• Pages of publication: o4387 - o4388
• a: 11.984 ± 0.001 Å
• b: 12.408 ± 0.001 Å
• c: 9.2792 ± 0.0007 Å
• α: 90°
• β: 102.74 ± 0.01°
• γ: 90°
• Cell volume: 1345.82 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes