Information card for entry 2207360

Structure parameters

• Chemical name: 4-Nitro-N-(8-quinolyl)benzenesulfonamide
• Formula: C15 H11 N3 O4 S
• Calculated formula: C15 H11 N3 O4 S
• SMILES: c1(cccc2cccnc12)NS(=O)(=O)c1ccc(cc1)N(=O)=O
• Title of publication: 4-Nitro-<i>N</i>-(8-quinolyl)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: 11
• Pages of publication: o3778 - o3779
• a: 5.0135 ± 0.0006 Å
• b: 20.636 ± 0.002 Å
• c: 6.966 ± 0.001 Å
• α: 90°
• β: 99.28 ± 0.01°
• γ: 90°
• Cell volume: 711.26 ± 0.15 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes