Information card for entry 2007218

Structure parameters

• Common name: 6,6'-dimethyl-2,2'-bipyridyl
• Chemical name: 6,6'-dimethyl-2,2'-bipyridyl
• Formula: C12 H12 N2
• Calculated formula: C12 H12 N2
• SMILES: Cc1cccc(n1)c1cccc(n1)C
• Title of publication: 6,6'-Dimethyl-2,2'-bipyridyl
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Sengül, Abdurrahman; Gillard, Robert D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 661 - 662
• a: 6.775 ± 0.005 Å
• b: 11.146 ± 0.003 Å
• c: 7.055 ± 0.004 Å
• α: 90°
• β: 111.72 ± 0.06°
• γ: 90°
• Cell volume: 494.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.058
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.135
• Weighted residual factors for significantly intense reflections: 0.132
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.158
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No