Information card for entry 7106185

Structure parameters

• Common name: 4phenylpyridine:4-hydroxybenzoicacid
• Formula: C29 H24 N2 O3
• Calculated formula: C29 H24 N2 O3
• SMILES: Oc1ccc(C(=O)O)cc1.c1(ccccc1)c1ccncc1.n1ccc(cc1)c1ccccc1
• 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: 7.5084 ± 0.0007 Å
• b: 18.0404 ± 0.0016 Å
• c: 19.0238 ± 0.0017 Å
• α: 66.06 ± 0.005°
• β: 84.424 ± 0.006°
• γ: 83.795 ± 0.006°
• Cell volume: 2337.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No