Information card for entry 2011047

Structure parameters

• Common name: 2-hydroxy-4,6-dimethylacetophenone
• Chemical name: 2-hydroxy-4,6-dimethylphenylethanone
• Formula: C10 H12 O2
• Calculated formula: C10 H12 O2
• SMILES: O=C(c1c(O)cc(cc1C)C)C
• Title of publication: 1-(2-Hydroxy-4,6-dimethylphenyl)ethanone
• Authors of publication: Armelao, Lidia; Depaoli, Giovanni; Dolmella, Alessandro
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: e268 - e268
• a: 7.431 ± 0.004 Å
• b: 7.604 ± 0.003 Å
• c: 16.007 ± 0.006 Å
• α: 93.61 ± 0.03°
• β: 95.5 ± 0.04°
• γ: 99.89 ± 0.04°
• Cell volume: 884 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.147
• Weighted residual factors for significantly intense reflections: 0.126
• Goodness-of-fit parameter for all reflections: 0.913
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No