Information card for entry 2015371

Structure parameters

• Chemical name: 1-[4-(4-oxo-1,4-dihydro-1-pyridyl)phenyl]pyridin-4(1H)-one‒terephthalic acid
• Formula: C24 H18 N2 O6
• Calculated formula: C24 H18 N2 O6
• SMILES: OC(=O)c1ccc(cc1)C(=O)O.O=c1ccn(cc1)c1ccc(cc1)n1ccc(=O)cc1
• Title of publication: Hydrogen-bonded 1:1 adduct of 1,1'-(<i>p</i>-phenylene)dipyridin-4(1<i>H</i>)-one with terephthalic acid
• Authors of publication: Li, Chen-Guang; Robinson, Paul D.; Dyer, Daniel J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o336 - o338
• a: 6.0931 ± 0.0002 Å
• b: 10.2759 ± 0.0003 Å
• c: 15.2973 ± 0.0005 Å
• α: 90°
• β: 92.148 ± 0.001°
• γ: 90°
• Cell volume: 957.12 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes