Information card for entry 2204686

Structure parameters

• Chemical name: 1-(2-Pyridyl)pyrrolidine-2-thione
• Formula: C9 H10 N2 S
• Calculated formula: C9 H10 N2 S
• SMILES: S=C1N(c2ncccc2)CCC1
• Title of publication: 1-(2-Pyridyl)pyrrolidine-2-thione
• Authors of publication: Datt, Michael S.; Koning, Charles B. de; Fernandes, Manuel A.; Michael, Joseph P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2298 - o2300
• a: 6.8504 ± 0.0008 Å
• b: 7.3247 ± 0.0009 Å
• c: 9.574 ± 0.0011 Å
• α: 87.965 ± 0.002°
• β: 85.299 ± 0.002°
• γ: 64.705 ± 0.002°
• Cell volume: 432.87 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes