Journal of Molecular Structure p. 59 - 67 (1990)
Update date:2022-07-29
Topics:
Emsley, John
Ma, Lewina Y. Y.
Nyburg, Stanley C.
Parkins, Adrian W.
The X-ray crystal structure of 3-(3',4',5'-trimethylphenyl)pentane-2,4-dione shows it to be the enol tautomer, with a hydrogen bond length Ro...o of 2.460 Angstroem, and the enol ring remarkably symmetrical indicating a strong hydrogen bond.The hydrogen-bond energy is estimated to be 110+/-10 kJ mol-1, a value derived from the infra-red spectrum.In CDCl3 solution 8percent of the keto tautomer is present.
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