Abstract
The structure of synthesized 2,5-dimethyl-3,4-dihydro-2H-pyran-2-carboxylic acid was investigated by the single crystal X-ray diffraction analysis method. It was established that the molecule of the acid exists in the form of the endo isomer while the single crystal exists as a racemate of the two enantiomeric endo stereomers. Quantum-chemical calculations of a model of the macrocell of the acid by means of the semiempirical MOPAC2009 program agree well with the X-ray diffraction data. How to Cite Kovalskyi, Ya. P.; Kinzhybalo, V. V.; Karpiak, N. M.; Marshalok, G. O. Chem. Heterocycl. Compd. 2011 , 46 , 1443. [ Khim. Geterotsikl. Soedin. 2010 , 1788.] For this article in the English edition see DOI 10.1007/s10593-011-0689-0
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