Information card for entry 2204709

Structure parameters

• Formula: C11 H11 N O2
• Calculated formula: C11 H11 N O2
• SMILES: O=c1n(c2c(c(O)c1)cccc2)CC
• Title of publication: 1-Ethyl-4-hydroxyquinolin-2(1<i>H</i>)-one
• Authors of publication: Baumer, Vyacheslav N.; Shishkin, Oleg V.; Ukrainets, Igor V.; Sidorenko, Lyudmila V.; Samer A. El Kayal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2356 - o2358
• a: 7.8474 ± 0.0012 Å
• b: 8.466 ± 0.0014 Å
• c: 14.033 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 932.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No