Crystal structure of (+)-methyl (E)-3-[(2S,4S,5R)-2-amino-5-hy-droxy-meth-yl-2-tri-chloro-methyl-1,3-dioxolan-4-yl]-2-methyl-prop-2-enoate.

Abstract

This study reports the crystallographic characterization of a compound with molecular formula C10H14Cl3NO5 containing a five-membered dioxolane ring. The ring adopts an envelope conformation, with the carbon bearing the hydroxymethyl group deviating 0.357 Å from the mean plane of the remaining ring atoms. Two intramolecular hydrogen bonds (O-H···N and N-H···O) exist between the hydroxyl and amino groups, resulting in disorder of the involved hydrogen atoms at equal occupancies of 0.50. The methyl 2-methylprop-2-enoate substituent is also disordered across two sites with refined occupancies of 0.482 and 0.518. In the solid state, molecules associate into dimers via O-H···O hydrogen bonds, and these dimers are further organized into sheets parallel to the (−101) plane through N-H···O, C-H···N, and C-H···O interactions.