Information card for entry 2220621

Structure parameters

• Chemical name: 1,2-Di-2-pyridylethylene‒phenylsuccinic acid (1/1)
• Formula: C22 H20 N2 O4
• Calculated formula: C22 H20 N2 O4
• SMILES: OC(=O)C(c1ccccc1)CC(=O)O.n1ccccc1/C=C/c1ncccc1
• Title of publication: 1,2-Di-2-pyridylethylene‒phenylsuccinic acid (1/1)
• Authors of publication: Huang, Qun-Zeng; Shi, Heng-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o182
• a: 8.6707 ± 0.0013 Å
• b: 10.9714 ± 0.0017 Å
• c: 11.2013 ± 0.0017 Å
• α: 80.801 ± 0.002°
• β: 69.696 ± 0.002°
• γ: 77.663 ± 0.002°
• Cell volume: 972 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes