Supramolecular Structure in the Cocrystal of 3, 5-Bispyridyl-1-H-1, 2, 4-Triazole and 4,4-Oxybis(Benzoic Acid)

Abstract

A new cocrystal (3,4-Hbpt)-(H2oba) (3,4-Hbpt =3-(3-pyridyl)-5-(4-pyridyl)- 1-H-1,2,4-triazole and H2oba=4,4-oxybis (benzoic acid)), was prepared via self-assembly in the presence of cobalt acetate as template by hydrothermal reactions. The title complex was characterized by single-crystal X-ray diffraction, elemental analysis and IR spectroscopy. Structural analysis reveals that the complex belongs to monoclinic system, space group P21/c. The two carboxylate groups from H2oba are not deprotonated and form two kinds of strong intermolecular hydrogen bonds with 3,4-Hbpt, which linking the molecules into one-dimensional chains. Furthermore, the one-dimensional chains are connected by the hydrogen bond interaction to form two-dimensional lamellar structures. Intermolecular hydrogen bonds may be effective in the stabilization of the crystal structure.