Information card for entry 2225983

Structure parameters

• Chemical name: 6-Methylpyridine-2(1<i>H</i>)-thione
• Formula: C6 H7 N S
• Calculated formula: C6 H7 N S
• SMILES: S=c1[nH]c(C)ccc1
• Title of publication: 6-Methylpyridine-2(1<i>H</i>)-thione
• Authors of publication: Lian, Guo-Jun; Chen, Bo; Zhang, Ting-Ting; Zhuang, Li-Zhen; Liang, Hong-Ze
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1154 - o1155
• a: 7.4608 ± 0.0015 Å
• b: 14.902 ± 0.003 Å
• c: 11.665 ± 0.002 Å
• α: 90°
• β: 94.85 ± 0.03°
• γ: 90°
• Cell volume: 1292.3 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0648
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes