SYNTHESIS, STRUCTURAL AND SPECTROSCOPIC CHARACTERIZATIONS, HIRSHFELD SURFACE ANALYSIS OF TWO COORDINATION COMPOUNDS ASSEMBLED FROM COPPER AND CARBOXYLATES, 3,5-DIMETHYL-1H-PYRAZOLE
DOI:
https://doi.org/10.15421/jchemtech.v31i3.276647Keywords:
pyrazole ligands, copper complexes, carboxylates, X-ray crystallography, Hirshfeld surface analysis, coordination polymerAbstract
Two coordination compounds Cu(H2O)(DMPZ)2C2O4 (1) (DMPZ = 3,5-dimethyl-1H-pyrazole) and [Cu(H2O)2(CH3COO)Br]n (2) have been synthesized by oxidative dissolution method. The crystal structures of both compounds have been determined by single-crystal X-ray diffraction analysis. Complex 1 crystallizes in the triclinic P space group, while complex 2 is orthorhombic crystals in the space group Pnma. In both compounds, the Cu(II) ion displays a slightly distorted square-pyramidal coordination environment. In complex 1, the coordination number of copper(II) ion is five, with the equatorial position formed by two nitrogen atoms belonging to the two monodentate coordinated 3,5-dimethyl-1H-pyrazole molecules, and two O atoms of the oxalate anion coordinated in a chelate mode. The axial position is occupied by the O atom of the water molecule. In complex 2, the copper equatorial surrounding consists of four oxygen atoms from two trans-disposed water molecules and two acetate groups that are bridged in syn-anti mode with neighboring copper atoms. The apical coordination site is occupied by the bromide ion. Elemental analysis and spectroscopy characterization of the complexes and 3,5-dimethyl-1H-pyrazole are also reported. The Hirshfeld surface analysis suggests that the main contribution to intermolecular interactions in both compounds comes from hydrogen bonds (H···O/O···H and H···Br/Br···H) and other close contacts involving hydrogen atoms.
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