Title : ( Supramolecular assembly of a 2D coordination polymer bearing pyridine-N-oxide-2,5-dicarboxylic acid and copper ion: X-ray crystallography and DFT calculations )
Authors: Maryam Bazargan , Masoud Mirzaei Shahrabi , Maral Aghamohammadi , mortaza tahmasebi heydarabad , Antonio Frontera ,
Full TextAbstract
As an extension of our interest in pyridine-N-oxide-dicarboxylic acids, we report the design and synthesis of a 2D coordination polymer {[Cu(Hpydco)2]·2H2O}n (1) based on the pyridine-N-oxide-2,5-dicarboxylic acid ligand (H2pydco). 1 was characterized using elemental analyses, infrared spectroscopy, thermal gravimetric analysis, and single crystal X-ray diffraction. Structural analysis showed that this compound is a two-dimensional coordination polymer created by four-connected nodes defined by the copper ion and bridging Hpydco- ligands which created regular tetragons. In the packing, hydrogen bonds connect adjacent 2D sheets to extend the structure into a 3D architecture. Since H2pydco and pyridine-2,5-dicarboxylic acid have similar frameworks, we also highlight some areas of current interest in their coordination behavior by surveying reported structures (Cambridge Structural Database (CSD))and have investigated the influence of the N-oxide moiety on the coordination mode(s) in the crystal lattice.
Keywords
, Pyridine-N-oxide-2, 5-dicarboxylic acid; Two-dimensional coordination polymer; Three-dimensional supramolecular architecture; Cambridge Structural Database (CSD).
@article{paperid:1075856,
author = {Bazargan, Maryam and Mirzaei Shahrabi, Masoud and Aghamohammadi, Maral and Tahmasebi Heydarabad, Mortaza and آنتونیو فرانترا},
title = {Supramolecular assembly of a 2D coordination polymer bearing pyridine-N-oxide-2,5-dicarboxylic acid and copper ion: X-ray crystallography and DFT calculations},
journal = {Journal of Molecular Structure},
year = {2020},
volume = {1202},
number = {1202},
month = {February},
issn = {0022-2860},
pages = {127243--127252},
numpages = {9},
keywords = {Pyridine-N-oxide-2;5-dicarboxylic acid; Two-dimensional coordination polymer; Three-dimensional supramolecular architecture; Cambridge Structural Database (CSD).},
}
%0 Journal Article
%T Supramolecular assembly of a 2D coordination polymer bearing pyridine-N-oxide-2,5-dicarboxylic acid and copper ion: X-ray crystallography and DFT calculations
%A Bazargan, Maryam
%A Mirzaei Shahrabi, Masoud
%A Aghamohammadi, Maral
%A Tahmasebi Heydarabad, Mortaza
%A آنتونیو فرانترا
%J Journal of Molecular Structure
%@ 0022-2860
%D 2020
