Substituted phenols as ligands VI: Crystal and molecular structure of bis(2-methoxy-4-nitrophenolato)N,N,N?N?-tetramethyl-ethylenediamine copper(II) dihydrate

Abstract

Bis(2 — methoxy — 4 — nitrophenolato)N,N,N′,N′ — tetramethylethylenediamine copper(II) dihydrate crystallizes in the orthorhombic systema = 16.160,b = 18.538,c = 8.263 A,Z = 4, space groupPbcn. The structure was determined by Fourier methods with CuKα diffractometer data, and refined by full-matrix least squares toR = 0.052 for 1585 observed reflexions. The molecules exhibit crystallographic two-fold symmetry with the diad axis passing through both the copper atom and the center of the carbon-carbon bond of the tetramethylethylenediamine moiety. Both the methoxy and phenolic oxygen atoms coordinate to the metal, as does the nitrogen atom of the tetramethylethylenediamine group, giving the copper atom sixfold coordination. The oxygen atoms of a phenolic group and one nitro group are involved in hydrogen bonds with the water molecules, resulting in a pairing of molecules about centers of symmetry. The solid-state electronic reflectance spectrum of the compound indicates a Type 1 molecule (Bullock et al., 1974), and this has been confirmed by the crystal structure analysis.