Information card for entry 2207069

Structure parameters

• Chemical name: 5,7-Dibromo-N-tosylquinolin-8-amine
• Formula: C16 H12 Br2 N2 O2 S
• Calculated formula: C16 H12 Br2 N2 O2 S
• SMILES: Brc1c(NS(=O)(=O)c2ccc(cc2)C)c2ncccc2c(Br)c1
• Title of publication: 5,7-Dibromo-<i>N</i>-tosylquinolin-8-amine
• Authors of publication: Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3435 - o3436
• a: 4.939 ± 0.001 Å
• b: 16.595 ± 0.003 Å
• c: 20.254 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1660.1 ± 0.6 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes