Information card for entry 2224733

Structure parameters

• Common name: 5-amino-2-thione-1,3,4-thiadiazole sodium dihydrate
• Chemical name: Sodium 5-amino-1,3,4-thiadiazole-2-thiolate dihydrate
• Formula: C2 H6 N3 Na O2 S2
• Calculated formula: C2 H6 N3 Na O2 S2
• SMILES: [Na+].O.O.c1(N)nnc(s1)[S-]
• Title of publication: Sodium 5-amino-1,3,4-thiadiazole-2-thiolate dihydrate
• Authors of publication: Wu, Jiayi; Wang, Yifeng; Yi, Guo; Luo, Shuping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m20
• a: 8.781 ± 0.0003 Å
• b: 20.0593 ± 0.0005 Å
• c: 8.4351 ± 0.0003 Å
• α: 90°
• β: 91.026 ± 0.001°
• γ: 90°
• Cell volume: 1485.53 ± 0.08 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes