Information card for entry 2210261

Structure parameters

• Chemical name: 4-n-Propyl-N-(8-quinolyl)benzenesulfonamide
• Formula: C18 H18 N2 O2 S
• Calculated formula: C18 H18 N2 O2 S
• SMILES: CCCc1ccc(cc1)S(=O)(=O)Nc1cccc2c1nccc2
• Title of publication: 4-<i>n</i>-Propyl-<i>N</i>-(8-quinolyl)benzenesulfonamide
• Authors of publication: Silva, Luiz Everson da; Joussef, Antonio Carlos; Silva, Luciano Luiz; Foro, Sabine; Schmidt, Boris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3606 - o3607
• a: 6.7242 ± 0.0008 Å
• b: 14.031 ± 0.001 Å
• c: 17.513 ± 0.001 Å
• α: 90°
• β: 90.891 ± 0.009°
• γ: 90°
• Cell volume: 1652.1 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes