Crystal Structure of Copper(II) Complex with Tryptamine-Pyridoxal Schiff Base and Conformational Study of Tryptophan in Pyridoxal-Catalyzed Reactions

Abstract

An X-ray structural analysis of the 1 : 2 complex between copper(II) and pyridoxylidenetryptamine Schiff base has shown that the copper atom is co-ordinated to phenolic oxygen and imino nitrogen atoms of two ligands related by a pseudo twofold symmetry, forming a tetrahedrally distorted square plane. Conformational analysis using the classical empirical potential energy function and CNDO/2 methods provided reasonable conformers accounting for the metabolic pathway of tryptophan→tryptamine→indoleacetoaldehyde.