Crystal Structure of [2,13-Dibenzyl-5,16-dimethyl-2,6,13,17-tetraazatricyclo(14,4,01.18,07.12)docosane]copper(II) Diperchlorate

Abstract  

In the title compound, [Cu(C₃₄H₅₂N₄)](ClO₄)₂, the Cu(II) ion has a square-planar coordination somewhat distorted towards tetrahedral geometry. The macrocyclic ligand adopts a less stable trans-I (RSRS) configuration. The two benzyl groups and two secondary amine H atoms are oriented towards the same side of the macrocyclic plane. The two six-membered rings are in slightly distorted chair and unsymmetrical twist-boat forms while both five-membered chelate rings are in the gauche conformation. The longer distances (2.050(4) and 2.035(4) Å) of Cu–N(tertiary) compared to 2.017(4) and 1.990(4) Å for Cu–N(secondary) may be due to the steric effects of the attached two benzyl groups on the tertiary N atoms. The crystal structure is stabilized by hydrogen bonds between secondary NH groups and O atoms of perchlorate counter-ions.