Structures of an infinite helical water chain and discrete lattice water in metal–organic framework structures

Abstract

Two supramolecular complexes Ni[(Py)2C(OH)2]2·(CH3COO)2·4H2O 1 and Co[(Py)2C(OH)2]2·(CH3COO)2·2H2O 2 have been synthesized under hydrothermal conditions and structurally characterized by elemental analysis, IR spectra, and X-ray single-crystal diffraction. The X-ray diffraction analysis indicates that the center metal (Ni2+ and Co2+) ions having the same coordination environments are chelated by two pyridyl N atoms and a hydroxyl O atom of the gem-diol ligand in an octahedral geometry. In 1, the lattice water molecules form infinite single helical chains, while in 2, two lattice water molecules are discrete. In their crystal structures, intermolecular O–H···O and C–H···O hydrogen bonds form an extensive three-dimensional network, which consolidates the crystal packing.