Acta Cryst. (2013). E69, m153
[ doi:10.1107/S1600536813003437 ]

Poly[bis(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)]

M. Maercz, D. S. Wragg, P. D. C. Dietzel and H. Fjellvåg

Abstract: In the title coordination polymer, [Zr(C₈H₂O₆)(C₆H₁₂N₂O)₂]_n, the Zr^IV atom, which lies on a crystallographic twofold rotation axis, is coordinated by two O,O'-bidentate 2,5-dioxidoterephthalate (DHTP^4-) ligands and two O-bonded 1,3-dimethyl-1,3-diazinan-2-one (DMPU) ligands (the latter in a cis orientation) in a distorted ZrO₆ octahedral geometry. The deprotonated hydroxy and carboxy O atoms of the DHTP^4- ligand chelate the Zr^IV ion via a six-membered ring; the dihedral angle between the carboxylate group and the aromatic ring is 19.94 (11)°. The DHTP^4- ligand is completed by crystallographic inversion symmetry and coordinates to two Zr^IV atoms, thereby forming polymeric zigzag chains propagating in the c-axis direction.

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