Information card for entry 2236287

Structure parameters

• Common name: 2-(Pyridin-1-ium-2-yl)pyridin-1-ium dibromide
• Chemical name: 2,2'-Bipyridine-1,1'-diium; dibromide
• Formula: C10 H10 Br2 N2
• Calculated formula: C10 H10 Br2 N2
• SMILES: [Br-].[nH+]1ccccc1c1[nH+]cccc1.[Br-]
• Title of publication: Redetermination of 2,2'-bipyridine-1,1'-diium dibromide
• Authors of publication: Ali, Basem F.; Al-Far, Rawhi; Haddad, Salim F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3033
• a: 7.5568 ± 0.0006 Å
• b: 9.7747 ± 0.0007 Å
• c: 15.3533 ± 0.0012 Å
• α: 90°
• β: 95.83 ± 0.007°
• γ: 90°
• Cell volume: 1128.21 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes