Information card for entry 2017175

Structure parameters

• Common name: Diphenic acid:pyridone
• Chemical name: 1,1'-Biphenyl-2,2'-dicarboxylic acid‒6-methyl-2-(1<i>H</i>)-pyridone (1/2)
• Formula: C26 H24 N2 O6
• Calculated formula: C26 H24 N2 O6
• SMILES: C(=O)(c1c(c2ccccc2C(=O)O)cccc1)O.c1(=O)[nH]c(ccc1)C.c1(=O)cccc([nH]1)C
• Title of publication: Structural effects on the solid-state photodimerization of 2-pyridone derivatives in inclusion compounds
• Authors of publication: Telzhensky, Marina; Kaftory, Menahem
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o314 - o320
• a: 11.415 ± 0.002 Å
• b: 10.957 ± 0.002 Å
• c: 19.66 ± 0.003 Å
• α: 90°
• β: 106.59 ± 0.02°
• γ: 90°
• Cell volume: 2356.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2454
• Weighted residual factors for all reflections included in the refinement: 0.2868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes