Abstract

In the title compound, [Cu(C9H6N3O2)2(C2H7N)2], the Cu2+ cation is situated on an inversion center and is coordinated by the N atoms of two di-methyl-amine ligands and the carboxyl-ate O atoms of two 4-(1,2,4-triazol-1-yl)benzoate anions, leading to a slightly distorted square-planar N2O2 coordination environment. In the crystal, inter-molecular N-H⋯N hydrogen bonds between the amine function and the central N atom of the triazole ring lead to the formation of ribbons parallel to [11]. Weak inter-molecular C-H⋯O hydrogen-bonding inter-actions are also observed that consolidate the crystal packing.

Highlights

  • In the title compound, [Cu(C9H6N3O2)2(C2H7N)2], the Cu2+ cation is situated on an inversion center and is coordinated by the N atoms of two dimethylamine ligands and the carboxylate O atoms of two 4-(1,2,4-triazol-1-yl)benzoate anions, leading to a slightly distorted square-planar N2O2 coordination environment

  • Intermolecular N—HÁ Á ÁN hydrogen bonds between the amine function and the central N atom of the triazole ring lead to the formation of ribbons parallel to [111]

  • They feature structural varieties, and can be applied in gas storage (Wang et al, 2012). In this context we have investigated crystals formed from a copper(II) solution and 4-(1,2,4-triazol-1-yl)benzoic acid under solvothermal conditions

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Summary

Structure description

The rational design of coordination polymers is based on the combination of metal ions and versatile organic ligands, resulting in various supramolecular assemblies. The resulting crystal structures determine the potential applications of the coordination polymers. Different polymers based on 4-(1,2,4-triazol-1-yl)benzoic acid complexes have been reported (Du et al, 2014). They feature structural varieties, and can be applied in gas storage (Wang et al, 2012). In this context we have investigated crystals formed from a copper(II) solution and 4-(1,2,4-triazol-1-yl)benzoic acid under solvothermal conditions. The asymmetric unit of the title compound comprises one CuII atom, one 4-(1,2,4-triazol-1-yl)benzoate ligand, and one dimethylamine molecule generated in situ from the decomposition of the solvent dimethyl formamide.

DÁ Á ÁA
Data collection Diffractometer Absorption correction
Bruker SMART CCD diffractometer
Special details
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