Molecular structure of the red isomeric (5, 7, 7, 12, 14, 14-hexamethyl-1, 4, 8, 11-tetra-azacyclotetradeca-4, 11-diene) copper(II) perchlorate

Abstract

A red crystal of [Cu( trans-[14] diene)] 2+ (ClO 4 −) 2 was crystallized from a methanol-water or acetone-water solution by slow evaporation of the solvent. This crystal has the chemical formula C 16H 32N 4Cu(II) (ClO 4) 2, FW = 542.92. Using a Syntex P 1 auto-diffractometer, the crystal data were determined: monoclinic, P2 l / c, a = 10.487(9), b = 16.971(15), c = 13.855(13) A ̊ , β = 105.17(7)°, Z = 4, V = 2379.9 A ̊ 3, D c = 1.52, D m = 1.52 g cm −3 (by flotation), μ = 38.23 cm −1 for CuK α. The structure was mainly solved by heavy atom method and difference Fourier synthesis. The hydrogen atoms attached to the nitrogen atoms in the trans-diene are on the same side ( cis) of the macrocyclic plane. The two perchlorate ions form hydrogen bonds with the NH groups and therefore are located in the cis configuration as hydrogen atoms are. The copper atom and four nitrogen atoms are coplanar within 0.05 Å.