Information card for entry 2008322

Structure parameters

• Common name: 4,4'‒Bipyridyl
• Chemical name: 4,4'‒Bipyridinyl
• Formula: C20 H16 N4
• Calculated formula: C10 H8 N2
• SMILES: n1ccc(cc1)c1ccncc1
• Title of publication: 4,4'-Bipyridyl at 203K
• Authors of publication: Boag, Neil M.; Coward, Kathleen M.; Jones, Anthony C; Pemble, Martyn E.; Thompson, J. Robin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 672 - 674
• a: 8.778 ± 0.002 Å
• b: 8.781 ± 0.001 Å
• c: 10.998 ± 0.002 Å
• α: 85.52 ± 0.01°
• β: 85.42 ± 0.02°
• γ: 78.57 ± 0.01°
• Cell volume: 826.6 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0921
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections: 1.01
• 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