Information card for entry 2015785

Structure parameters

• Chemical name: 3,4-di-2-pyridyl-1,2,5-oxadiazole
• Formula: C12 H8 N4 O
• Calculated formula: C12 H8 N4 O
• SMILES: c1ccc(nc1)c1nonc1c1ccccn1
• Title of publication: 3,4-Di-2-pyridyl-1,2,5-oxadiazole and its perchlorate salt
• Authors of publication: Liu, Na; Cheng, Ai-Ling; Gao, En-Qing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o93 - o95
• a: 13.0702 ± 0.0008 Å
• b: 21.8905 ± 0.0016 Å
• c: 7.7957 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2230.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1392
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes