Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)

organic compounds

Acta Cryst. (2013). E69, o734    [ doi:10.1107/S1600536813009872 ]

(1R*,2R*,3S*,4R*)-Diethyl 4-hy­droxy-4-methyl-2-(4-methyl­phen­yl)-6-oxo­cyclo­hexane-1,3-di­carboxyl­ate

A. I. Ismiev, N. A. Gadirova, K. E. Hajiyeva, R. K. Askerov and K. A. Potekhin

Abstract: The title compound, C20H26O6, is chiral and crystallizes as a racemate: the relative configuration of the stereogenic centres is 1R*,2R*,3S*,4R*. The cyclo­hexane ring has a chair conformation. The ethyl fragment of the eth­oxy­carbonyl group in the 3-position is disordered over two sets of sites in a 0.650 (6):0.350 (6) ratio. The hy­droxy group acts as a bifurcated hydrogen-bond donor, forming both intra- and inter­molecular hydrogen bonds with ester carbonyl O atoms. The inter­molecular hydrogen bonds form inversion dimers in the crystal.

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