Information card for entry 2203460

Structure parameters

• Chemical name: 2,5-Bis(4-pyridyl)-1,3,4-thiadiazole
• Formula: C12 H8 N4 S
• Calculated formula: C12 H8 N4 S
• SMILES: n1ccc(cc1)c1nnc(s1)c1ccncc1
• Title of publication: 2,5-Bis(4-pyridyl)-1,3,4-thiadiazole
• Authors of publication: Du, Miao; Zhao, Xiao-Jun; Li, Cheng-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o706 - o707
• a: 26.179 ± 0.009 Å
• b: 5.8223 ± 0.0017 Å
• c: 7.169 ± 0.003 Å
• α: 90°
• β: 105.855 ± 0.009°
• γ: 90°
• Cell volume: 1051.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes