Synthesis, Crystal Structure, Spectral and Thermal Characterization of cis-Diaquabis(1,10 Diorotate Hydrate, cis-[Zn(H2O)2(Phen)2] 2·(H2O)2.125

Abstract

Preparation, X-ray crystal structure, thermal behavior, and IR spectroscopic studies of cis-diaquabis(1,10-phenanthroline)zinc(II) diorotate hydrate are described. In the compound [Zn(H<inf>2</inf>O)<inf>2</inf>(C <inf>12</inf>H<inf>8</inf>N<inf>2</inf>)<inf>2</inf>](C<inf>5</inf>H <inf>3</inf>N<inf>2</inf>O<inf>4</inf>)<inf>2</inf>·(H<inf>2</inf>O) <inf>2.125</inf> (1), the zinc ion, located on a twofold axis, is coordinated by two aqua ligands together with a pair of bidentate 1,10-phenanthroline (phen) molecules, and exhibits a distorted octahedral coordination. The orotate anions have a single negative charge each. The metal-coordinated water molecules link the orotate ions to the metal complex via O-H⋯O hydrogen bonds. Also the uncoordinated water molecules are bonded to orotate ions through O-H⋯O hydrogen bonds. Thus, an extensive network of hydrogen bonds together with π-π, and π-ring interactions stabilize the crystal structure and form an infinitive three dimensional structure. The thermal decomposition pathway of 1 has been investigated by the help of thermal analysis data (TG, DTG and DTA). © 2006 Verlag der Zeitschrift für Naturforschung.