Information card for entry 2222348

Structure parameters

• Chemical name: 5,5'-Dimethyl-2,2'-bipyridine
• Formula: C12 H12 N2
• Calculated formula: C12 H12 N2
• SMILES: Cc1ccc(nc1)c1ccc(cn1)C
• Title of publication: 5,5'-Dimethyl-2,2'-bipyridine
• Authors of publication: Khoshtarkib, Zeinab; Ebadi, Amin; Ahmadi, Roya; Alizadeh, Robabeh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1586
• a: 6.409 ± 0.004 Å
• b: 7.312 ± 0.005 Å
• c: 11.533 ± 0.008 Å
• α: 96.04 ± 0.05°
• β: 91.16 ± 0.04°
• γ: 105.03 ± 0.05°
• Cell volume: 518.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes