4(3H)-quinazolinone may act as ligand for metal ions in different coordination modes – coordinating through nitrogen atom para to the quinazolinone oxygen atom (mode 1), or through nitrogen atom ortho to the quinazolinone oxygen atom (mode 2), after hydrogen atom migration (tautomerization). Earlier crystal structural investigations have shown that in the reaction of cadmium chloride or bromide with 4(3H)-quinazolinone, this ligand interacts with Cd(II) cations via para nitrogen atoms (mode 1), and the octahedral coordination around the metal is completed by two ligands in a trans axial geometry. New cadmium(II) and mercury(II) coordination polymers were obtained via reaction of (3H)-quinazolinone with CdBr2 and HgCl2, respectively. Single crystal X-ray structural analysis reveals that coordination compounds crystallize in monoclinic P21/c and triclinic P-1 space groups, featuring halide-bridged 1D chain polymers based on momonuclear [M(X2)(L)] subunits ((M = Cd, Hg, X = halide ion and L = 4(3H)-quinazolinone). Each metal ion is coordinated to one quinazolinone ligand, via the nitrogen atom ortho to the quinazolinone oxygen atom, with similar coordination geometries for metal ions in both coordination polymers.
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Metal halide coordination compounds with 4(3H)-quinazolinone
Published:
06 November 2020
by MDPI
in The 2nd International Online Conference on Crystals
session Crystal Engineering
Abstract:
Keywords: 4(3H)-quinazolinone; coordination polymer; crystal structure
Comments on this paper
Jesus Sanmartín-Matalobos
18 November 2020
Knowledge of the factors that determine the ligand coordination mode
Knowledge of the factors that determine the coordination mode of 4(3H)-quinazolinone would allow us to control the structure of the compounds obtained. Could you tell me if you have studied or are planning to study what factors control the ligand's coordination mode?
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