Synthesis, X-ray crystal structure and solution behaviour of [Zn{(η5-C5H5)Fe[(η5-C5H4)-CH=N-(CH2)3-NMe2]}Cl2]

The synthesis and characterization of the heterodimetallic complex [Zn {(eta(5)-C5H5)Fe[(eta(5) -C5H4)-CH=N-(CH2)(3)-NMe2]}Cl-2] (2) is reported. The X-ray crystal structure of 2 reveals that the ligand has an anti-conformation and acts as a neutral bidentate (N,N) ligand forming a six-membered chelate ring. NMR studies of 2 in CDCl3 or acetone-d(6) are also reported and suggest that two species coexist in solution. This finding has been ascribed to the presence of two isomeric forms of 2 which differ in the conformation of the ligand E(anti-) or Z(syn-). DFT calculations support this hypothesis (C) 2002 Elsevier Science Ltd. All rights reserved.