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. 2005 May;61(Pt 5):m228-30.
doi: 10.1107/S0108270105008188. Epub 2005 Apr 23.

Bis(acesulfamato-kappa2N3,O4)bis(2-aminopyrimidine-kappaN1)copper(II)

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Bis(acesulfamato-kappa2N3,O4)bis(2-aminopyrimidine-kappaN1)copper(II)

Ahmet Bulut et al. Acta Crystallogr C. 2005 May.

Abstract

In the crystal structure of the title compound, bis(2-aminopyrimidine-kappaN1)bis[6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide(1-)-kappa2N3,O4]copper(II), [Cu(C4H4NO4S)2(C4H5N3)2], the first mixed-ligand complex of acesulfame, the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four-membered chelate rings and by the Jahn-Teller effect. The equatorial plane is formed by the N atoms of two aminopyrimidine (ampym) ligands and by the weakly basic carbonyl O atoms of the acesulfamate ligands, while the more basic deprotonated N atoms of these ligands are in the elongated axial positions with a strong misdirected valence. The crystal is stabilized by pyrimidine ring stacking and by intermolecular hydrogen bonding involving the NH2 moiety of the ampym ligand and the carbonyl O atom of the acesulfamate moiety.

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