Date Published: May 01, 2009
Publisher: International Union of Crystallography
Author(s): Béla Mihály, Edit Forizs, Attila-Zsolt Kun, Ioan Silaghi-Dumitrescu.
In the title compound, [Zn(C7H7N4O2)2(C4H13N3)]·2H2O, the ZnII ion is pentacoordinated by three N atoms of the diethylenetriamine ligand and one N atom of each of the two theophyllinate anions in a distorted trigonal-bipyramidal geometry. The Zn—N distances range from 2.076 (3) to 2.221 (3) Å. The crystal packing is stabilized by O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds involving the theophylline and diethylenetriamine ligands and uncoordinated water molecules.
For the isostructural copper(II) compound, see Sorrell et al. (1976 ▶). For the theophylline molecule acting as a monodentate anionic ligand, see: Begum & Manohar (1994 ▶); Birdsall & Zitzman (1979 ▶); Bombicz et al. (1997 ▶).