(1R*,2R*,3S*,4R*)-Diethyl 4-hy-droxy-4-methyl-2-(4-methyl-phen-yl)-6-oxo-cyclo-hexane-1,3-di-carboxyl-ate.

Autor: Ismiev AI; Baku State University, Z. Khalilov St 23, Baku AZ-1148, Azerbaijan., Gadirova NA, Hajiyeva KE, Askerov RK, Potekhin KA
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Structure reports online [Acta Crystallogr Sect E Struct Rep Online] 2013 Apr 13; Vol. 69 (Pt 5), pp. o734. Date of Electronic Publication: 2013 Apr 13 (Print Publication: 2013).
DOI: 10.1107/S1600536813009872
Abstrakt: The title compound, C20H26O6, is chiral and crystallizes as a racemate: the relative configuration of the stereogenic centres is 1R*,2R*,3S*,4R*. The cyclo-hexane ring has a chair conformation. The ethyl fragment of the eth-oxy-carbonyl group in the 3-position is disordered over two sets of sites in a 0.650 (6):0.350 (6) ratio. The hy-droxy group acts as a bifurcated hydrogen-bond donor, forming both intra- and inter-molecular hydrogen bonds with ester carbonyl O atoms. The inter-molecular hydrogen bonds form inversion dimers in the crystal.
Databáze: MEDLINE