Information card for entry 2004042

Structure parameters

• Formula: C8 H13 N S2
• Calculated formula: C8 H13 N S2
• SMILES: S=C1S[C@H]2[C@@H](N1)CCCCC2.S=C1S[C@@H]2[C@H](N1)CCCCC2
• 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: 8.629 ± 0.003 Å
• b: 12.282 ± 0.006 Å
• c: 8.844 ± 0.003 Å
• α: 90°
• β: 98.02 ± 0.04°
• γ: 90°
• Cell volume: 928.1 ± 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: 0.047
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.406
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No