Information card for entry 2004040

Structure parameters

• Formula: C6 H9 N S2
• Calculated formula: C6 H9 N S2
• SMILES: S1[C@H]2[C@@H](NC1=S)CCC2.S1[C@@H]2[C@H](NC1=S)CCC2
• Title of publication: Five-, Six- and Seven-Membered-Ring Substituted Thiazolidine-2-thione
• Authors of publication: Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2113 - 2116
• a: 6.139 ± 0.003 Å
• b: 9.231 ± 0.005 Å
• c: 13.273 ± 0.004 Å
• α: 90°
• β: 97.26 ± 0.05°
• γ: 90°
• Cell volume: 746.1 ± 0.6 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for significantly intense reflections: 1.356
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No