Information card for entry 2212942

Structure parameters

• Chemical name: 8-(Piperidin-1-ylsulfonyl)quinoline
• Formula: C14 H16 N2 O2 S
• Calculated formula: C14 H16 N2 O2 S
• SMILES: c1(cccc2cccnc12)S(=O)(=O)N1CCCCC1
• Title of publication: 8-(Piperidin-1-ylsulfonyl)quinoline
• Authors of publication: Andrighetti-Fröhner, Carla Regina; Nunes, Ricardo José; Silva, Luiz Everson da; Simões, Cláudia Maria Oliviera; Foro, Sabine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1638 - o1639
• a: 7.2682 ± 0.0007 Å
• b: 14.319 ± 0.002 Å
• c: 14.411 ± 0.002 Å
• α: 111.31 ± 0.02°
• β: 101.49 ± 0.01°
• γ: 100.71 ± 0.01°
• Cell volume: 1313.3 ± 0.4 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: 0.0466
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes