Information card for entry 2237304

Structure parameters

• Chemical name: 4-Hydroxy-1-methyl-3-phenylquinolin-2(1<i>H</i>)-one
• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: n1(c2ccccc2c(O)c(c1=O)c1ccccc1)C
• Title of publication: 4-Hydroxy-1-methyl-3-phenylquinolin-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: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o231
• a: 6.1787 ± 0.0002 Å
• b: 8.2696 ± 0.0002 Å
• c: 12.3665 ± 0.0004 Å
• α: 90°
• β: 101.632 ± 0.002°
• γ: 90°
• Cell volume: 618.89 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes