Information card for entry 2207978

Structure parameters

• Chemical name: N-(6-Methoxy-2-methyl-8-quinolyl)-4-n-propylbenzenesulfonamide
• Formula: C20 H22 N2 O3 S
• Calculated formula: C20 H22 N2 O3 S
• SMILES: c1(cc(cc2ccc(C)nc12)OC)NS(=O)(=O)c1ccc(cc1)CCC
• Title of publication: <i>N</i>-(6-Methoxy-2-methyl-8-quinolyl)-4-<i>n</i>-propylbenzenesulfonamide
• Authors of publication: da Silva, Luiz Everson; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o626 - o627
• a: 8.4437 ± 0.0008 Å
• b: 9.7548 ± 0.0008 Å
• c: 12.187 ± 0.0008 Å
• α: 95.254 ± 0.006°
• β: 94.757 ± 0.007°
• γ: 103.426 ± 0.008°
• Cell volume: 966.62 ± 0.14 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1307
• 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