MOLECULAR AND CRYSTAL STRUCTURE OF 2,3-DIMETHYL-5-(2′-METHYLPROP-1′-ENYL)-6-(MORPHOLYL-4′-CARBONYL)-CYCLOHEX-3-EN-1-CARBOXYLIC ACID
E. V. Mironova, M. S. Dzyurkevich, O. A. Lodochnikova, D. B. Krivolapov, I. A. Litvinov, V. V. Plemenkov
Keywords: 2, 3-dimethyl-5-(2'-methylprop-1'-enyl)-6-(morpholyl-4'-carbonyl)-cyclohex-3-en-1-carboxylic acid, crystal and molecular structure, anti-conformation of the carboxylic group, X-ray crystallography
Pages: 360-363
Abstract
An X-ray structural examination is carried out for 2,3-dimethyl-5-(2′-methylprop-1′-enyl)-6-(morpholyl-4′-carbonyl)-cyclohex-3-en-1-carboxlic acid that is one of the products of the Diels-Alder reaction of an acyclic monoterpene alloocimene with maleic and citraconic anhydrides followed by the ring opening of adducts with morpholine to corresponding amides. The crystals are triclinic; a = 10.619(1) Å, b = 12.784(2) Å, c = 14.328(2) Å; α = 65.752(1)°, β = 87.932(1)°, γ = 78.120(1)°; V = 1733.0(3) Å3, P-1 space group, Z = 4 (two independent molecules). In both molecules, the anti-conformation of the carboxylic group is observed, the conformation being stabilized by an intramolecular hydrogen bond involving the carboxylic hydrogen atom and ketonic oxygen.
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