Information card for entry 2000412

Structure parameters

• Formula: C8 H12 N2 S4
• Calculated formula: C8 H12 N2 S4
• SMILES: N#CC(=C(SC)SC)SC(=S)N(C)C
• Title of publication: Structures of 1-cyano-2,2-bis(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (2) and 1,2,2-tris(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (3)
• Authors of publication: Heinemann, F.; Dölling, W.; Hartung, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 2266 - 2268
• a: 9.939 ± 0.002 Å
• b: 11.403 ± 0.002 Å
• c: 12.472 ± 0.001 Å
• α: 90°
• β: 113.04 ± 0.01°
• γ: 90°
• Cell volume: 1300.8 ± 0.4 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: 0.039
• Weighted residual factors for significantly intense reflections: 0.035
• Goodness-of-fit parameter for significantly intense reflections: 0.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No