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

Matthias Maercz; David Stephen Wragg; Pascal Daniel Croumbie Dietzel; Helmer Fjellvåg

doi:10.1107/S1600536813003437

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

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):m153. doi: 10.1107/S1600536813003437. Epub 2013 Feb 16.

Authors

Matthias Maercz¹, David Stephen Wragg, Pascal Daniel Croumbie Dietzel, Helmer Fjellvåg

Affiliation

¹ Centre for Materials Science and Nanotechnology, Department of Chemistry, University of Oslo, PO Box 1126, 0315 Oslo, Norway.

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 octa-hedral geometry. The deprotonated hy-droxy and carb-oxy O atoms of the DHTP(4-) ligand chelate the Zr(IV) ion via a six-membered ring; the dihedral angle between the carboxyl-ate 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.