Information card for entry 2008878

Structure parameters

• Common name: N-hydroxypyridine-2-thione
• Chemical name: 1-Hydroxypyridine-2(1H)-thione
• Formula: C5 H5 N O S
• Calculated formula: C5 H5 N O S
• SMILES: S=c1n(O)cccc1
• Title of publication: 1-Hydroxy-2(1<i>H</i>)-pyridinethione
• Authors of publication: Bond, Andrew; Jones, William
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1536 - 1538
• a: 6.231 ± 0.003 Å
• b: 7.935 ± 0.004 Å
• c: 11.667 ± 0.006 Å
• α: 90°
• β: 92.09 ± 0.03°
• γ: 90°
• Cell volume: 576.5 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No