محمد قادرمزی

In this research, a novel supramolecular proton transfer compound was synthesized from the reaction between pyridine-2,6-dicarboxylic acid, C7H5NO4, and propane-1,3-diamine, C3H10N2. According to the crystal structure, the resulting compound formulated as 2(C3H12N2)2+(C7H3NO4)2-(C7H4.5NO4)1.5- (C7H3.5NO4)0.5-• (C7H5NO4)• 5H2O. This compound crystallizes in the triclinic system and contains two molecules per unit cell. The unit cell dimensions are a=7.8355(4)Å, b=13.5296(6)Å, c=20.8930(6)Å, 􀐋=106.558(1)􀋃, 􀐌 =90.603(1)􀋃, and 􀐍=106.662(1)􀋃. The final Rvalue was 0.0427 for 9245 reflections. In anionic fragment, one of fourth hydrogen atoms of hydroxy groups is disordered. In cationic fragment, two carbon and nitrogen atoms, are disordered on two position with occupancies 0.88/0.12. Anion molecules form two independent hydrogen bonded zigzag-type chains. The hydrogen bonds as type O-H•••O, N-H•••O, and N-H•••N play a role in the construction of supramolecular framework. Interactions between cationic and anionic fragments consist of ion-pairing, hydrogen bonds and π-π stacking. The reaction of the proton transfer compound with ZrCl4 was carried out. This complex formulated as (C3H12N2)[Zr(C7H3NO4)3] • 4H2O. The ZrIV complex crystallizes in the space group P21/c of the monoclinic system with four molecules per unit cell. The unit cell dimensions are a=10.0246(6)Å, b=17.1883(10)Å, c=17.8643(10)Å, and 􀐌= 97.2970(10)􀋃. The metal ion is ninecoordinated by three pyridine- 2,6-dicarboxylate as tridentate ligand. The ZrIV atom is located in the center of a distorted tricapped trigonal prism arrangement. The crystal-packing diagram indicates the layered structure for this complex. This complex arises from ion pairing and the extensive hydrogen bonding. Keywords: zirconium, supramolecular compounds, crystal structures