Information card for entry 2207931

Structure parameters

• Chemical name: 2,5-di-4-pyridyl-1,3,4-oxadiazole–hydroquinone (1/1)
• Formula: C18 H14 N4 O3
• Calculated formula: C18 H14 N4 O3
• SMILES: o1c(nnc1c1ccncc1)c1ccncc1.Oc1ccc(O)cc1
• Title of publication: 1:1 Cocrystal of 2,5-di-4-pyridyl-1,3,4-oxadiazole and hydroquinone
• Authors of publication: Wang, Yong-Tao; Tang, Gui-Mei; Qin, Da-Wei; Duan, Hong-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o45 - o46
• a: 13.811 ± 0.007 Å
• b: 5.855 ± 0.002 Å
• c: 38.55 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3117 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes