Information card for entry 2210745

Structure parameters

• Chemical name: pyridine‒4-hydroxybenzoic acid (1/1)
• Formula: C12 H11 N O3
• Calculated formula: C12 H11 N O3
• SMILES: c1(ccc(cc1)O)C(=O)O.c1ccccn1
• Title of publication: A 1:1 cocrystal of pyridine and 4-hydroxybenzoic acid
• Authors of publication: Wei, Lin-Heng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4506 - o4507
• a: 12.163 ± 0.005 Å
• b: 9.002 ± 0.004 Å
• c: 11.171 ± 0.005 Å
• α: 90°
• β: 117.34 ± 0.01°
• γ: 90°
• Cell volume: 1086.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes