Information card for entry 2229510

Structure parameters

• Chemical name: 5,5'-Bis[(1<i>H</i>-imidazol-1-yl)methyl]-2,2'-bipyridine methanol disolvate
• Formula: C20 H24 N6 O2
• Calculated formula: C20 H24 N6 O2
• SMILES: c1ncn(c1)Cc1ccc(nc1)c1ccc(cn1)Cn1cncc1.CO.CO
• Title of publication: 5,5'-Bis[(1<i>H</i>-imidazol-1-yl)methyl]-2,2'-bipyridine methanol disolvate
• Authors of publication: Moon, Suk-Hee; Kim, Tae Ho; Park, Ki-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o554
• a: 4.5653 ± 0.0004 Å
• b: 14.7886 ± 0.0012 Å
• c: 14.5378 ± 0.0011 Å
• α: 90°
• β: 93.805 ± 0.002°
• γ: 90°
• Cell volume: 979.35 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes