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

Author： Baidina I. Stabnikov P. Vasiliev A. Gromilov S. Igumenov I.

ISSN： 0022-4766

Source： Journal of Structural Chemistry, Vol.45, Iss.4, 2004-07, pp. : 671-677

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Abstract

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) Å, b = 9.171(1) Å, c = 10.823(2) Å; α = 96.51(1)°, β = 106.12(1)°, γ = 96.81(1)°, space group P $$\bar 1$$ , Z = 2, d _calc = 1.38 g/cm³, d _exp = 1.37 g/cm³, 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 Å and Cu-N 1.95 Å, the O-Cu-O and N-Cu-N trans bond angles are 145.5° and 150.3°, respectively. The O-Cu-N chelate angle is 94.6°. 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.