Information card for entry 2227481

Structure parameters

• Chemical name: 2,2'-Bi-1,3,4-thiadiazole-5,5'-diamine tetrahydrate
• Formula: C4 H12 N6 O4 S2
• Calculated formula: C4 H12 N6 O4 S2
• SMILES: Nc1nnc(s1)c1nnc(s1)N.O.O.O.O
• Title of publication: 2,2'-Bi-1,3,4-thiadiazole-5,5'-diamine tetrahydrate
• Authors of publication: Pakawatchai, Chaveng; Saithong, Saowanit
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2195
• a: 19.977 ± 0.006 Å
• b: 6.678 ± 0.002 Å
• c: 9.328 ± 0.003 Å
• α: 90°
• β: 112.514 ± 0.006°
• γ: 90°
• Cell volume: 1149.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes