A new three-dimensional CdII supramolecular framework constructed from the 1-[(1H-tetrazol-5-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane ligand

Acta Crystallogr C Struct Chem. 2015 Feb;71(Pt 2):93-6. doi: 10.1107/S2053229614028009. Epub 2015 Jan 12.

Abstract

A new tetrazole-metal supramolecular compound, di-μ-chlorido-bis(trichlorido{1-[(1H-tetrazol-5-yl-κN(2))methyl]-1,4-diazoniabicyclo[2.2.2]octane}cadmium(II)), [Cd2(C8H16N6)2Cl8], has been synthesized and structurally characterized by single-crystal X-ray diffraction. In the structure, each Cd(II) cation is coordinated by five Cl atoms (two bridging and three terminal) and by one N atom from the 1-[(1H-tetrazol-5-yl)methyl]-1,4-diazoniabicyclo[2.2.2]octane ligand, adopting a slightly distorted octahedral coordination geometry. The bridging bicyclo[2.2.2]octane and chloride ligands link the Cd(II) cations into one-dimensional ribbon-like N-H...Cl hydrogen-bonded chains along the b axis. An extensive hydrogen-bonding network formed by N-H...Cl and C-H...Cl hydrogen bonds, and interchain π-π stacking interactions between adjacent tetrazole rings, consolidate the crystal packing, linking the poymeric chains into a three-dimensional supramolecular network.

Keywords: crystal structure; dinuclear cadmium complex; hydrogen bonding; supramolecular structure; tetrazole ligand.