Information card for entry 2211985

Structure parameters

• Chemical name: 2-Aminoquinolin-8-yl 4-p-toluenesulfonate
• Formula: C16 H14 N2 O3 S
• Calculated formula: C16 H14 N2 O3 S
• SMILES: c1(cccc2ccc(nc12)N)OS(=O)(=O)c1ccc(cc1)C
• Title of publication: 2-Aminoquinolin-8-yl <i>p</i>-toluenesulfonate
• Authors of publication: Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o72 - o74
• a: 8.334 ± 0.001 Å
• b: 8.636 ± 0.001 Å
• c: 11.805 ± 0.001 Å
• α: 96.35 ± 0.01°
• β: 110.23 ± 0.01°
• γ: 106.9 ± 0.01°
• Cell volume: 741.4 ± 0.16 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: 0.054
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.119
• 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