Synthesis and crystal structure of the copper(I) complex with 2-[(o-pyridyl)-sulfanylmethyl]-pyrimidine ligand

The reaction of a flexible monothioether ligand, 2-[(o-pyridyl)-sulfanylmethyl]-pyrimidine (L), with CuI leads to the formation of a novel complex [Cu4I4(L)(2)] (1), which has been characterized by elemental analyses, IR spectroscopy, and single-crystal X-ray diffraction analysis: monoclinic, space group P2(1)/n, with a = 10.921(5), b = 10.824(5), c = 13.128(6) angstrom, beta = 109.333(5)degrees and Z = 2. Single-crystal X-ray analyses show that complex 1 is tetranuclear structure with a distorted chair-like Cu4I4 skeleton. Cu center dot center dot center dot Cu interactions are found to exist in this tetranuclear molecule. In the packing mode of complex 1, there exist N center dot center dot center dot I weak interactions and intermolecular pi-alpha contacts. These weak interactions not only stabilize the structure of complex, but also further link the tetranuclear molecules into a high-dimensional supramolecular architecture.