Information card for entry 2238348

Structure parameters

• Common name: 2-Quinolinesulfonamide
• Formula: C9 H8 N2 O2 S
• Calculated formula: C9 H8 N2 O2 S
• SMILES: NS(=O)(=O)c1ccc2c(n1)cccc2
• Title of publication: Quinoline-2-sulfonamide
• Authors of publication: Marciniec, Krzysztof; Maślankiewicz, Andrzej; Kusz, Joachim; Nowak, Maria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1357 - o1358
• a: 8.5907 ± 0.0001 Å
• b: 5.1716 ± 0.0001 Å
• c: 20.0375 ± 0.0003 Å
• α: 90°
• β: 94.23 ± 0.001°
• γ: 90°
• Cell volume: 887.79 ± 0.02 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes