Information card for entry 2209593

Structure parameters

• Chemical name: 2,5-Bis(3,7-dichloroquinolin-8-yl)-1,3,4-oxadiazole
• Formula: C20 H8 Cl4 N4 O
• Calculated formula: C20 H8 Cl4 N4 O
• SMILES: Clc1cc2c(nc1)c(c(Cl)cc2)c1oc(nn1)c1c(Cl)ccc2c1ncc(Cl)c2
• Title of publication: 2,5-Bis(3,7-dichloroquinolin-8-yl)-1,3,4-oxadiazole
• Authors of publication: Ye, E; Zhang, Yong-Wei; Wang, Hui; Niu, Yun-Yin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2594 - o2595
• a: 14.1016 ± 0.0008 Å
• b: 9.8811 ± 0.0006 Å
• c: 27.016 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3764.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes