Information card for entry 2240962

Structure parameters

• Common name: 2,4-dihydroxy-6-methylacetophenone
• Chemical name: 1-(2,4-Dihydroxy-6-methylphenyl)ethanone
• Formula: C9 H10 O3
• Calculated formula: C9 H10 O3
• SMILES: c1(c(cc(cc1C)O)O)C(=O)C
• Title of publication: Crystal structure of 1-(2,4-dihydroxy-6-methylphenyl)ethanone
• Authors of publication: Prabpai, Samran; Kongsaeree, Palangpon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: o612 - o613
• a: 7.357 ± 0.0003 Å
• b: 15.001 ± 0.001 Å
• c: 7.318 ± 0.0005 Å
• α: 90°
• β: 91.017 ± 0.004°
• γ: 90°
• Cell volume: 807.5 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes