A new one-dimensional CuII complex with a three-dimensional supramolecular architecture incorporating benzene-1,3-dicarboxylate and 1-[(1H-benzotriazol-1-yl)methyl]-1H-imidazole

Acta Crystallogr C Struct Chem. 2017 Feb 1;73(Pt 2):91-96. doi: 10.1107/S2053229617000997. Epub 2017 Jan 23.

Abstract

Subtle modifications of N-donor ligands can result in complexes with very different compositions and architectures. In the complex catena-poly[[bis{1-[(1H-benzotriazol-1-yl)methyl]-1H-imidazole-κN3}copper(II)]-μ-benzene-1,3-dicarboxylato-κ3O1,O1':O3], {[Cu(C8H4O4)(C10H9N5)2(H2O)]·2H2O}n, each CuII ion is six-coordinated by two N atoms from two crystallographically independent 1-[(1H-benzotriazol-1-yl)methyl]-1H-imidazole (bmi) ligands, by three O atoms from two symmetry-related benzene-1,3-dicarboxylate (bdic2-) ligands and by one water molecule, leading to a distorted CuN2O4 octahedral coordination environment. The CuII ions are connected by bridging bdic2- anions to generate a one-dimensional chain. The bmi ligands coordinate to the CuII ions in monodentate modes and are pendant on opposite sides of the main chain. In the crystal, the chains are linked by O-H...O and O-H...N hydrogen bonds, as well as by π-π interactions, into a three-dimensional network. A thermogravimetric analysis was carried out and the fluorescence behaviour of the complex was also investigated.

Keywords: benzene-1,3-dicarboxylate; benzotriazole; copper(II) complex; crystal structure; fluorescence behaviour; imidazole; one-dimensional coordination polymer; thermogravimetric analysis.