Information card for entry 2202981

Structure parameters

• Common name: 1,4-Bis(thiazol-2-ylsulfanyl)butane
• Chemical name: 2,2'-[(1,4-Butanediyl)dithio]dithiazole
• Formula: C10 H12 N2 S4
• Calculated formula: C10 H12 N2 S4
• SMILES: C(CSc1nccs1)CCSc1nccs1
• Title of publication: 2,2'-(1,4-Butanediyldithio)-1,3-dithiazole
• Authors of publication: Xin, Ying; Liu, Hui-Min; Zhang, Wei; Zhang, Wen-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1153 - o1154
• a: 6.067 ± 0.002 Å
• b: 14.099 ± 0.005 Å
• c: 7.733 ± 0.003 Å
• α: 90°
• β: 97.101 ± 0.006°
• γ: 90°
• Cell volume: 656.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes