Crystal and molecular structure of copper(II) trans-bis-(2-(methylimino)-4-pentanonate)

Synthesis and X-ray diffraction study of trans-bis-(2-(methylimino)-4-pentanonato)Cu(II), which is methyl-substituted ketoiminate, is reported. Crystal data for CuN2O2C12H20: a = 7.374(1) angstrom, b = 9.171(1) angstrom, c=10.823(2)angstrom; alpha=96.51(1)degrees, beta=106.12(1)degrees, gamma=96.81(1)degrees', space group P (1) over bar, Z=2, d(calc) = 1.38g/cm(3), d(exp) = 1.37 g/cm(3), R = 0.037. The structure is molecular and consists of isolated trans-complexes. The coordination polyhedron of the copper atom is intermediate between the square and tetrahedron; the average distances are Cu-O 1.91 angstrom and Cu-N 1.95 angstrom, the O-Cu-O and N-Cu-N trans bond angles are 145.5 degrees and 150.3 degrees, respectively. The O-Cu-N chelate angle is 94.6 degrees. The calculated energies of van der Waals intermolecular interactions are compared with the thermogravimetric characteristics of the complex with ketoiminate and copper(II) ethylenediamine-bis-acetylacetonate.