Information card for entry 2222065

Structure parameters

• Chemical name: 5-(3-Pyridyl)-1,3,4-thiadiazol-2-amine
• Formula: C7 H6 N4 S
• Calculated formula: C7 H6 N4 S
• SMILES: s1c(nnc1N)c1cccnc1
• Title of publication: 5-(3-Pyridyl)-1,3,4-thiadiazol-2-amine
• Authors of publication: Wang, Yao; Wan, Rong; Han, Feng; Wang, Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1447
• a: 11.066 ± 0.002 Å
• b: 7.238 ± 0.0014 Å
• c: 11.271 ± 0.002 Å
• α: 90°
• β: 116.79 ± 0.03°
• γ: 90°
• Cell volume: 805.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes