Information card for entry 2220379

Structure parameters

• Chemical name: 1,4-Bis[2-(2-pyridyl)-1<i>H</i>-imidazol-1-yl]butane
• Formula: C20 H20 N6
• Calculated formula: C20 H20 N6
• SMILES: n1c(cccc1)c1nccn1CCCCn1c(c2ccccn2)ncc1
• Title of publication: 1,4-Bis[2-(2-pyridyl)-1<i>H</i>-imidazol-1-yl]butane
• Authors of publication: Tan, Ke; Li, Shun-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2360
• a: 11.0426 ± 0.001 Å
• b: 13.451 ± 0.0012 Å
• c: 12.7081 ± 0.0011 Å
• α: 90°
• β: 111.213 ± 0.002°
• γ: 90°
• Cell volume: 1759.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1032
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes