Information card for entry 2011805

Structure parameters

• Chemical name: 2,5-Dihydroxy-1,4-benzoquinone‒4,4'-bipyridine (1/1)
• Formula: C16 H12 N2 O4
• Calculated formula: C16 H12 N2 O4
• SMILES: n1ccc(cc1)c1ccncc1.OC1=CC(=O)C(=CC1=O)O
• Title of publication: The 1:1 adduct of 2,5-dihydroxy-1,4-benzoquinone with 4,4'-bipyridine
• Authors of publication: Cowan, John A.; Howard, J. A. K.; Leech, M. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 302 - 303
• a: 20.8676 ± 0.0017 Å
• b: 7.0151 ± 0.0007 Å
• c: 9.1087 ± 0.0008 Å
• α: 90°
• β: 92.843 ± 0.005°
• γ: 90°
• Cell volume: 1331.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes