Information card for entry 2223555

Structure parameters

• Common name: Bis(1,3,4-thiadiazolyl)-5,5'-disulfide
• Chemical name: Bis(1,3,4-thiadiazol-2-yl) disulfide
• Formula: C4 H2 N4 S4
• Calculated formula: C4 H2 N4 S4
• SMILES: n1csc(n1)SSc1scnn1
• Title of publication: Bis(1,3,4-thiadiazol-2-yl) disulfide
• Authors of publication: Hu, Pu-Zhou; Zhang, Yong-Hua; Wang, Jian-Ge; Qin, Jian-Hua; Zhao, Bang-Tun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2483
• a: 9.706 ± 0.002 Å
• b: 4.898 ± 0.0012 Å
• c: 18.008 ± 0.005 Å
• α: 90°
• β: 100.074 ± 0.003°
• γ: 90°
• Cell volume: 842.9 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes