MOLECULAR AND CRYSTAL STRUCTURE OF 4,4,4-TRIFLUORO-3,3-DIHYDROXY-1-THIOPHENE-2-YL-BUTANE-1-ONE
S. V. Shishkina, Y. V. Tishchenko, N. L. Karavaeva, N. V. Pogorelova, O. V. Shishkin
Keywords: 4, 4, 4-trifluoro-3, 3-dihydroxy-1-thiophene-2-yl-butane-1-one, 2-thenoyltrifluoroacetone, conformation, X-ray diffraction analysis, quantum chemical calculations
Pages: 795-797
Abstract
An X-ray diffraction analysis and quantum chemical calculations of hydrated 2-thenoyltrifluoroacetone show that the planar diketone, form of ТТА found in its metal complexes, does not occur in the free ligand. Hydrated ТТА with two geminal hydroxo groups has a non-planar structure stabilized by an intramolecular hydrogen bond.
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