Information card for entry 2219518

Structure parameters

• Chemical name: 5,5'-[Methylenebis(sulfanediyl)]bis(1,3,4-thiadiazol-2-amine)
• Formula: C5 H6 N6 S4
• Calculated formula: C5 H6 N6 S4
• SMILES: n1nc(N)sc1SCSc1nnc(N)s1
• Title of publication: 5,5'-[Methylenebis(sulfanediyl)]bis(1,3,4-thiadiazol-2-amine)
• Authors of publication: Meng, Fankun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2000
• a: 5.457 ± 0.003 Å
• b: 7.316 ± 0.004 Å
• c: 13.623 ± 0.008 Å
• α: 81.746 ± 0.008°
• β: 88.864 ± 0.008°
• γ: 74.858 ± 0.008°
• Cell volume: 519.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes