Information card for entry 2014889

Structure parameters

• Chemical name: 4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine
• Formula: C18 H24 N2 O2
• Calculated formula: C18 H24 N2 O2
• SMILES: OCCCCc1ccnc(c1)c1nccc(c1)CCCCO
• Title of publication: Packing effects in 4,4'-bis(4-hydroxybutyl)-2,2'-bipyridine and 4,4'-bis(4-bromobutyl)-2,2'-bipyridine
• Authors of publication: Vijay Mahadevan Iyer; Helen Stoeckli-Evans; Anthony D'Aléo; Luisa De Cola; Peter Belser
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o259 - o261
• a: 22.878 ± 0.003 Å
• b: 4.7657 ± 0.0005 Å
• c: 16.789 ± 0.002 Å
• α: 90°
• β: 116.759 ± 0.009°
• γ: 90°
• Cell volume: 1634.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes