Synthesis, Crystal Structure And Hirshfeld Surface Analysis Of A New Coordination Polymer: Strontium Benzilate

A novel coordination polymer was synthesized from strontium carbonate and benzylic acid in aqueous solution and is formulated as Sr[(C6H5)(4)(COCOO)(2)center dot 2H(2)O]. This compound was characterized by FTIR spectroscopy and powder X-ray diffraction. The crystal structure was determined by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic P2(1)/n space group, with unit cell parameters a = 15.0224(9) angstrom, b = 7.5038(6) angstrom, c = 25.000(2) angstrom, beta = 94.764(2)degrees, V = 2808.4 angstrom(3), Z = 4. In the structure, the metallic ion is coordinated to eight oxygen atoms, six from benzilate molecules, and two from water molecules, forming a distorted tetragonal antiprism. One of the benzilates is coordinated to the metal in a monodentate fashion (carboxylate only), while the other benzilate molecule does it in the bidentate from carboxylate and hydroxide. Strontium ions form infinite zig-zag chains along the [010] direction, which form a three-dimensional network via O-H center dot center dot center dot O hydrogen-bond interactions between the coordinated water molecules and the O atoms of the carboxylate groups. The intermolecular interactions were analyzed using Hirshfeld surface analysis.