Information card for entry 2201928

Structure parameters

• Formula: C6 H6 N4 S2
• Calculated formula: C6 H6 N4 S2
• SMILES: Nc1scc(n1)c1csc(n1)N
• Title of publication: 2,2'-Diamino-4,4'-bi-1,3-thiazole
• Authors of publication: Jia-Geng Liu; Duan-Jun Xu; Chen-Hsiung Hung
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o312 - o313
• a: 5.151 ± 0.002 Å
• b: 11.468 ± 0.003 Å
• c: 6.555 ± 0.003 Å
• α: 90°
• β: 92.71 ± 0.01°
• γ: 90°
• Cell volume: 386.8 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 298 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes