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Zeitschrift für Naturforschung B

A Journal of Chemical Sciences

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Volume 73, Issue 6


Structural, spectral and docking studies of a coordination polymer of zinc(II) formed by a pyridine-derived linker

Farzin Marandi / Keyvan Moeini / Fereshteh Alizadeh / Zahra Mardani
  • Inorganic Chemistry Department, Faculty of Chemistry, Urmia University, 57561-51818, Urmia, I.R. Iran
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/ Ching Kheng Quah
  • X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia
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/ Wan-Sin Loh
  • X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia
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Published Online: 2018-05-03 | DOI: https://doi.org/10.1515/znb-2018-0043


A mixed ligand zinc coordination polymer, {Zn(μ-DPE)(DBM)2}n (1) (HDBM: dibenzoylmethane and DPE: (E)-1,2-di(pyridin-4-yl)ethene), was prepared and identified by elemental analysis, FT-IR, 1H NMR spectroscopy and single-crystal X-ray diffraction. In the 1D linear coordination polymer of 1, the zinc atom has a ZnN2O4 environment with octahedral geometry. These complex units are linked by the bridging of the planar N2 donor DPE ligands. In the coordination network of complex 1, in addition to the hydrogen bonds, the network is more stabilized by π–π stacking interactions between pyridine and β-diketone moieties of the ligands. These interactions increase the ability of the compound to interact with biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS and Top II) as investigated by docking calculations.

Keywords: β-diketone ligands; coordination polymer; docking study; nitrogen donor linker; zinc(II)


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About the article

Received: 2018-02-18

Accepted: 2018-03-30

Published Online: 2018-05-03

Published in Print: 2018-06-27

Citation Information: Zeitschrift für Naturforschung B, Volume 73, Issue 6, Pages 369–375, ISSN (Online) 1865-7117, ISSN (Print) 0932-0776, DOI: https://doi.org/10.1515/znb-2018-0043.

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