Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 1 (January 2013)

organic compounds

 

rac-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2H-chromene-3-carboxylate

A. M. Maharramov, A. I. Ismiev, B. A. Rashidov, R. K. Askerov and K. A. Potekhin

Abstract: The title molecule, C₂₁H₂₅NO₇, has four stereogenic centres and crystallized as a racemate. It consists of enantiomeric pairs with the relative configuration rac-(1R*,2S*,3R*). The cyclohexenone ring adopts an envelope conformation; the dimethyl-substituted C atom lies 0.640 (1) Å out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.016 Å). The oxacyclohexene ring adopts a half-chair conformation, the hydroxy- and carboxyl-substituted C atoms lying -0.336 (1) and 0.419 (1) Å, respectively, out of the mean plane formed by the rest of the ring atoms (r.m.s. deviation = 0.002 Å). In the crystal, O-HO hydrogen bonds link the molecules into a chain along the c-axis direction.

	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536812050581/aa2078sup0.html ] Supplementary materials
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