Information card for entry 2011724

Structure parameters

• Common name: 4,4'-Bipyridine dihydrate
• Formula: C10 H12 N2 O2
• Calculated formula: C10 H12 N2 O2
• SMILES: n1ccc(cc1)c1ccncc1.O.O
• Title of publication: 4,4'-Bipyridine dihydrate at 130K
• Authors of publication: Näther, Christian; Riedel, Jens; Jeß, Inke
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 111 - 112
• a: 9.1333 ± 0.0007 Å
• b: 7.431 ± 0.0004 Å
• c: 14.7171 ± 0.0012 Å
• α: 90°
• β: 101.052 ± 0.009°
• γ: 90°
• Cell volume: 980.32 ± 0.13 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes