Information card for entry 2230337

Structure parameters

• Chemical name: 1-(2-Hydroxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-en-1-one
• Formula: C17 H16 O2
• Calculated formula: C17 H16 O2
• SMILES: C(=O)(/C=C/c1ccccc1C)c1cc(ccc1O)C
• Title of publication: 1-(2-Hydroxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-en-1-one
• Authors of publication: Vijay Kumar, D.; Thippeswamy, G. B.; Jayashree, B. S.; Sridhar, M. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1492
• a: 13.393 ± 0.0011 Å
• b: 14.174 ± 0.0016 Å
• c: 14.571 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2766 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes