Information card for entry 2238931

Structure parameters

• Chemical name: (<i>E</i>)-2-[2-(4-Carboxyphenyl)ethenyl]-8-hydroxyquinolin-1-ium chloride ethanol monosolvate
• Formula: C20 H20 Cl N O4
• Calculated formula: C20 H20 Cl N O4
• SMILES: Oc1cccc2ccc([nH+]c12)/C=C/c1ccc(cc1)C(=O)O.[Cl-].OCC
• Title of publication: (<i>E</i>)-2-[2-(4-Carboxyphenyl)ethenyl]-8-hydroxyquinolin-1-ium chloride ethanol monosolvate
• Authors of publication: Schulze, Mathias M.; Seichter, Wilhelm; Weber, Edwin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1773 - o1774
• a: 9.6841 ± 0.0002 Å
• b: 9.703 ± 0.0002 Å
• c: 10.8456 ± 0.0003 Å
• α: 67.516 ± 0.001°
• β: 74.957 ± 0.001°
• γ: 86.249 ± 0.001°
• Cell volume: 908.72 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No