Information card for entry 2203362

Structure parameters

• Chemical name: 5-(4-Pyridyl)-1,3,4-oxadiazole-2(3H)-thione
• Formula: C7 H5 N3 O S
• Calculated formula: C7 H5 N3 O S
• SMILES: S=C1OC(=NN1)c1ccncc1
• Title of publication: 5-(4-Pyridyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione
• Authors of publication: Du, Miao; Zhao, Xiao-Jun; Guo, Jian-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o327 - o328
• a: 4.869 ± 0.002 Å
• b: 13.902 ± 0.005 Å
• c: 11.839 ± 0.004 Å
• α: 90°
• β: 97.93 ± 0.006°
• γ: 90°
• Cell volume: 793.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes