Information card for entry 2236676

Structure parameters

• Chemical name: 3-Ethyl-4-hydroxy-8-methoxyquinolin-2(1<i>H</i>)-one
• Formula: C12 H13 N O3
• Calculated formula: C12 H13 N O3
• SMILES: [nH]1c(=O)c(CC)c(O)c2cccc(OC)c12
• Title of publication: 3-Ethyl-4-hydroxy-8-methoxyquinolin-2(1<i>H</i>)-one
• Authors of publication: Kafka, Stanislav; Pevec, Andrej; Proisl, Karel; Kimmel, Roman; Košmrlj, Janez
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3198
• a: 11.4824 ± 0.0004 Å
• b: 6.9072 ± 0.0002 Å
• c: 14.4978 ± 0.0005 Å
• α: 90°
• β: 113.128 ± 0.0015°
• γ: 90°
• Cell volume: 1057.42 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.2715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes