Information card for entry 7106184

Structure parameters

• Common name: 4,4'-bipyridyl:4-hydroxybenzoicacid form 3
• Formula: C27 H22 N4 O3
• Calculated formula: C27 H22 N4 O3
• SMILES: n1ccc(cc1)c1ccncc1.n1ccc(c2ccncc2)cc1.OC(=O)c1ccc(O)cc1
• 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: 7.702 ± 0.003 Å
• b: 9.503 ± 0.005 Å
• c: 16.765 ± 0.005 Å
• α: 84.074 ± 0.007°
• β: 77.313 ± 0.007°
• γ: 67.731 ± 0.007°
• Cell volume: 1107.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No