Crystal Structure and Molecular Stereochemistry of Novel Polymeric Cu₂(DMP)₄₄(DMSO) as a Platform for Phosphate Diester Binding

Abstract

Treatment of a solution of CuCl 2 in dimethyl phosphate (DMP) with DMSO under nitrogen atmosphere afforded to a light blue fluorescence powder. Slow evaporation of H 2 O-DMSO solution of this powder resulted in blue-sky crystals of a new polymeric Cu(II) complex, with a unit cell composed of Cu 2 (DMP) 4 (DMSO), (1). The crystal and molecular structure of the complex acquired crystallographically. Compound (1) crystallizes in the monoclinic space group P2 1 /n with a = 12.8920(11) Å, b = 13.1966(11) Å, c = 14.7926(13) Å, α = 90 o , β = 98.943(2) o , γ = 90 o , V= 2486.1(4) Å 3 , and Z = 4. A square pyramidal environment for the metal center was established by coordination of oxygen atoms of four bridging DMP ligands in the basal positions and binding a tri-centered oxygen atom of DMSO in the apical disposition of Cu(II). The sixth position was also affected by a weak interaction with the sulfur atom of another DMSO. The phosphorous atom in the bridging DMP was arranged in a deformed tetrahedron with (gg) conformation for methyl esters with C 2v symmetry.