Information card for entry 2007060

Structure parameters

• Chemical name: 3-Hydroxy-2-ethyl-1-4methylphenyl pyridin-4-one
• Formula: C14 H15 N O2
• Calculated formula: C14 H15 N O2
• SMILES: CCc1c(O)c(=O)ccn1c1ccc(cc1)C
• Title of publication: Three <i>N</i>-Aryl-Substituted 3-hydroxypyridin-4-ones
• Authors of publication: John Burgess; John Fawcett; David R. Russell; Lu Zaisheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 430 - 433
• a: 7.305 ± 0.001 Å
• b: 18.615 ± 0.007 Å
• c: 18.296 ± 0.002 Å
• α: 90°
• β: 99.81 ± 0.02°
• γ: 90°
• Cell volume: 2451.6 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.1484
• Weighted residual factors for significantly intense reflections: 0.1214
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No