Information card for entry 2218156

Structure parameters

• Chemical name: 3-Hydroxy-7,8-dimethoxyquinolin-2(1<i>H</i>)-one
• Formula: C11 H11 N O4
• Calculated formula: C11 H11 N O4
• SMILES: O=c1[nH]c2c(cc1O)ccc(OC)c2OC
• Title of publication: 3-Hydroxy-7,8-dimethoxyquinolin-2(1<i>H</i>)-one
• Authors of publication: Song, Jian; Lin, Yongcheng; Chan, Wing Lai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o934
• a: 4.9655 ± 0.0016 Å
• b: 14.084 ± 0.005 Å
• c: 14.888 ± 0.005 Å
• α: 90°
• β: 96.208 ± 0.006°
• γ: 90°
• Cell volume: 1035.1 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes