Information card for entry 7106182

Structure parameters

• Common name: 4,4'-bipyridyl:4-hydroxybenzoic acid co-crystal form 1
• Formula: C24 H20 N2 O6
• Calculated formula: C24 H20 N2 O6
• SMILES: c1(ccc(cc1)C(=O)O)O.C(=O)(c1ccc(cc1)O)O.c1cc(ccn1)c1ccncc1
• Title of publication: Synthon polymorphism and pseudopolymorphism in co-crystals. The 4,4?-bipyridine–4-hydroxybenzoic acid structural landscape
• Authors of publication: Gautam R. Desiraju; Arijit Mukherjee
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4090
• a: 11.472 ± 0.002 Å
• b: 24.646 ± 0.005 Å
• c: 7.111 ± 0.001 Å
• α: 90°
• β: 93.28 ± 0.03°
• γ: 90°
• Cell volume: 2007.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0935
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No