J. Emsley, L. Ma, S. C. Nyburg
Nov 1, 1990
Citations
1
Influential Citations
33
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract 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 R O&…o of 2.460 A, 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 CDCl 3 solutin 8% of the keto tautomer is present.