Information card for entry 2014440

Structure parameters

• Chemical name: Quinoline-2(1H)-thione
• Formula: C9 H7 N S
• Calculated formula: C9 H7 N S
• SMILES: S=c1[nH]c2c(cc1)cccc2
• Title of publication: Quinoline-2(1<i>H</i>)-thione, a structure with <i>Z</i>' = 8
• Authors of publication: Kuś, Piotr; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o865 - o867
• a: 19.9772 ± 0.0014 Å
• b: 19.9588 ± 0.0014 Å
• c: 15.6622 ± 0.0011 Å
• α: 90°
• β: 93.014 ± 0.004°
• γ: 90°
• Cell volume: 6236.2 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes