Intermolecular forces regulated the dimensions of CoII, CuII complexes with 2-(1H-1, 2, 4-Triazol-3-yl)pyridine

Abstract

Two novel metal complexes C7H10CoN4O6S (1) and C9H8CuN4O2 (2) were synthesized by ligand 2-HTP (2-HTP = 2-(1H-1, 2, 4-triazol-3-yl)pyridine) reaction with different catalysts CoSO4·7H2O and Cu(CH3COO)2·H2O, respectively. Single crystal X-ray diffraction experiments reveal that the symmetry of complexes 1 and 2 respective belong to high centrosymmetric space group C2/c with point group C2h6 and low centrosymmetric space group P21/n with point group C2h5, however, the symmetric elements (E, C2, i, σh) remains unchanged. Meanwhile, hydrogen bonding and π-π interactions exist in structure of complex 1, while only π-π interaction exists in complex 2. In addition, Hirshfeld surface analyses, especially de, dnorm and decomposed fingerprint plots, further indicate complex 1 has stronger intermolecular interactions than complex 2, which leads to complexes 1 and 2 form a three-dimensional network and a one-dimensional chain structures, respectively.