Information card for entry 2218658

Structure parameters

• Chemical name: 2,2'-Dimethyl-4,4'-bipyridine
• Formula: C12 H12 N2
• Calculated formula: C12 H12 N2
• SMILES: n1c(cc(cc1)c1cc(ncc1)C)C
• Title of publication: 2,2'-Dimethyl-4,4'-bipyridine
• Authors of publication: Ibragimov, Bahtier; Weber, Edwin; Peukert, Max; Fischer, Conrad; Seichter, Wilhelm
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1287
• a: 11.7961 ± 0.0003 Å
• b: 7.613 ± 0.0002 Å
• c: 21.2977 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1912.61 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes