Information card for entry 2017174

Structure parameters

• Common name: Diphenic acid:pyridone
• Chemical name: 1,1'-Biphenyl-2,2'-dicarboxylic acid‒4-methyl-2-(1<i>H</i>)-pyridone (1/2)
• Formula: C26 H24 N2 O6
• Calculated formula: C26 H24 N2 O6
• SMILES: OC(=O)c1c(cccc1)c1ccccc1C(=O)O.O=c1[nH]ccc(c1)C.O=c1[nH]ccc(c1)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: 9.838 ± 0.002 Å
• b: 10.085 ± 0.002 Å
• c: 14.016 ± 0.003 Å
• α: 89.77 ± 0.03°
• β: 74.9 ± 0.03°
• γ: 62.764 ± 0.002°
• Cell volume: 1182.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0619
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes