Information card for entry 2216337

Structure parameters

• Common name: 3-acetyl-4-hydroxyquinolin-2(1H)-one
• Chemical name: 3-Acetyl-4-hydroxyquinolin-2(1<i>H</i>)-one
• Formula: C11 H9 N O3
• Calculated formula: C11 H9 N O3
• SMILES: [nH]1c(=O)c(c(O)c2ccccc12)C(=O)C
• Title of publication: 3-Acetyl-4-hydroxyquinolin-2(1<i>H</i>)-one: resonance-assisted O—H···O hydrogen bonding
• Authors of publication: S. Sarveswari; T. K. Raja; R. Vijayaraghavan; T. Narasimhamurthy; R. S. Rathore
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4600 - o4601
• a: 11.914 ± 0.003 Å
• b: 5.2297 ± 0.0012 Å
• c: 14.946 ± 0.003 Å
• α: 90°
• β: 98.555 ± 0.004°
• γ: 90°
• Cell volume: 920.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes