Information card for entry 2206178

Structure parameters

• Chemical name: Bipyridine bis[5-amino-1,3,4-thiadiazole-2(3H)-thione]
• Formula: C14 H14 N8 S4
• Calculated formula: C14 H14 N8 S4
• SMILES: C1(SC(=S)NN=1)N.c1(ccncc1)c1ccncc1.C1(=S)NN=C(N)S1
• Title of publication: 4,4'-Bipyridine‒5-amino-1,3,4-thiadiazole-2(3<i>H</i>)-thione (1/2)
• Authors of publication: Deng, Qian-Jun; Yao, Min-Xia; Zeng, Ming-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2239 - o2240
• a: 7.02 ± 0.003 Å
• b: 8.121 ± 0.004 Å
• c: 16.888 ± 0.007 Å
• α: 90°
• β: 100.74 ± 0.04°
• γ: 90°
• Cell volume: 945.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No