X-Ray structure, conformation, and absolute configuration of 8-bromotetra-O-methyl-(+)-catechin

Abstract

The X-ray structure of 8-bromotetra-O-methyl-(+)-catechin confirms the substitution position of the bromine atom and the 2R,3S absolute configuration of the parent compound (+)-catechin; in the heterocyclic ring both the heteroatom and C-4 are marginally above the mean plane of the adjoining benzene ring, and its conformation is midway between half-chair and sofa arrangements.