Information card for entry 7221551

Structure parameters

• Common name: 3-HQ
• Chemical name: 3-Hydroxyquinolones
• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: c1(c(c(=O)c2ccccc2n1C)O)c1ccccc1
• Title of publication: Acid-base and coordination properties of 2-phenyl-3-hydroxy-4-quinolones in aqueous media
• Authors of publication: Jiménez-Sánchez, Arturo; Yatsimirsky, Anatoly K.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.0099 ± 0.0012 Å
• b: 9.0949 ± 0.0015 Å
• c: 9.526 ± 0.002 Å
• α: 115.448 ± 0.019°
• β: 114.236 ± 0.018°
• γ: 96.055 ± 0.013°
• Cell volume: 603.9 ± 0.3 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: 0.0708
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No