Organometallic supramolecular chemistry with monosaccharides: Triethylammonium mu-chloro-bis{chloro(eta(5)-cyclopentadienyl)-(methyl 4,6-O-benzylidene-beta-D-glucopyranosidato-1 kappa O-2,1 : 2 kappa O-3)zirconate}

The reaction of [CpZrCl3(thf)(2)] with methyl 4,6-O-benzylidene- beta -D-gl ucopyranoside (beta -MeBGH(2), 1) in the presence Of Et3N results in the fo rmation of the zirconate complex [Et3NH] [(CpZrCl)(2)(mu -Cl){mu- beta -MeB G)}(2)] (2). X-ray structure analyses were performed from the ligand precur sor beta -MeBGH(2), 1 as well as from 2. Compound 1 crystallizes in the mon oclinic chiral space group P2(1). The molecules show a flat arrangement inc luding the benzylidene protecting group, and are packed in columns. The col umns are held together in pairs by the formation of hydrogen bonds between the hydroxy functions in positions 2 and 3. Compound 2 crystallizes in the orthorhombic space group P2(1)2(1)2(1). The beta -MeBG ligands are chelatin g the Zr atoms through the oxygen atoms in positions 2 and 3 of the glucopy ranosidato ligand revealing a 1-zircona-2,5-dioxolane moiety each; the oxyg en atom in position 3 is linked to both of the Zr atoms. Additionally one c hloro ligand is bridging the two Zr centers. Two terminally bound chloro li gands stick out from the two Zr atoms into a chiral U-shaped cavity constru cted by the two beta -MeBG ligands. The cavity incorporates the tertiary am monium cation [Et3NH](+), which is bound to one of the terminal chloro liga nds through a hydrogen bond. The inclusion of the [Et3NH](+) cation in the U-shaped cavity, even in solution, is demonstrated by NMR spectroscopic dat a.