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Journal of the Chilean Chemical Society

On-line version ISSN 0717-9707

Abstract

DELGADO, Gerzon E. et al. SYNTHESIS, CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF A NEW COORDINATION POLYMER: STRONTIUM BENZILATE. J. Chil. Chem. Soc. [online]. 2021, vol.66, n.1, pp.5081-5085. ISSN 0717-9707.  http://dx.doi.org/10.4067/S0717-97072021000105081.

A novel coordination polymer was synthesized from strontium carbonate and benzylic acid in aqueous solution and is formulated as Sr[(C6H5)4(COCOO)2·2H2O]. 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 P21/n space group, with unit cell parameters a = 15.0224(9) Å, b = 7.5038(6) Å, c = 25.000(2) Å, β = 94.764(2)°, V = 2808.4 Å3, 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···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.

Keywords : Benzilate; coordination polymer; X-ray diffraction; hydrogen bonds; Hirshfeld surface.

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