Information card for entry 2240974

Structure parameters

• Chemical name: 4,4'-Dimethoxy-2,2'-bipyridine
• Formula: C12 H12 N2 O2
• Calculated formula: C12 H12 N2 O2
• SMILES: c1cc(cc(c2cc(ccn2)OC)n1)OC
• Title of publication: Crystal structure of 4,4'-dimethoxy-2,2'-bipyridine
• Authors of publication: Kusano, Yukiko; Ohno, Keiji; Fujihara, Takashi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: o623 - o624
• a: 6.4235 ± 0.0011 Å
• b: 10.8139 ± 0.0018 Å
• c: 8.0123 ± 0.0014 Å
• α: 90°
• β: 109.462 ± 0.002°
• γ: 90°
• Cell volume: 524.76 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes