6533b7d6fe1ef96bd1266410

RESEARCH PRODUCT

Electronic properties and crystal structure of aqua (mepirizole-oxalato)copper(II)monohydrate: [Cu(C11H14N4O2)C2O4·H2O]H2O

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Abstract A Cu(ll) complex with mepirizole: 4-methoxy-2-(5-methoxy-3-methyl-pyrazoll-yl)-6-methylpyrimidine (L) and oxalate as ligands with the formula [CuL(C2O4)(H2O)]·H2O has been synthesized. The crystal structure has been determined by X-ray diffraction analysis: monoclinic, space group P21/n, Z = 4, a = 7.707(1), b = 14.951(3), c = 14.986(2) A,β = 92.40(2)°, V = 1725.2(8) A3, Dm = 1.61(1) g cm−3, Dc = 1.62 g cm−3, R = 0.032 and Rw = 0.035 for 2016 observed reflections. The CuN2O2O′chromophore can be described as square pyramidal strongly distorted towards trigonal bipyramidal. The basal coordination positions are occupied by the two oxygen atoms of the bidentate oxalate group, the coordinated water molecule and one nitrogen atom of the bidentate mepirizole group; the other coordinated nitrogen atom occupies the apical position. Magnetic moment, IR, electronic reflectance and ESR spectra are interpreted in accordance with the proposed stereochemistry.