T. Sato et al., CONFORMATIONAL CHANGE OF A MACROBICYCLIC COMPLEX - STRUCTURE OF FREE LIGAND AND INTERACTIONS WITH DMSO, Chemistry Letters, (5), 1993, pp. 859-862
An X-ray crystal structure determination has been carried out on a fre
e macrobicyclic ligand pytren 26,31,39,42,43,44,-undeca-azapentacyclo-
[13.13.13. 4,6(42),7,9,11,48,20(43),21,23,25,31,33(44),34,36, 38-penta
decane). It shows a different conformation from its Ba complex for dir
ection of lone pairs of the six imine nitrogen atoms. Addition of dime
thylsulfoxide (DMSO) to the acetonitrile solution of the Ba complex ca
uses the conformational change of pytren ligand and driving out of the
Ba ion from the cavity due to interactions of the complex with DMSO.