Heteroleptic Binuclear Iodoacetate Copper(II) Complexes with 3-Bromopyridine and 4-Ethylpyridine: Crystal Structures and Peculiarities of Contacts Halogen···Halogen

Abstract

The reactions of [Cu 2 (IOAc) 4 (H 2 O) 2 ] with 3-bromopyridine and 4-ethylpyridine in acetone afford heteroligand complexes [Cu 2 (IOAc) 4 (3-BrPy) 2 ] (I) and [Cu 2 (IOAc) 4 (4-EtPy) 2 ] (II). Their structures are determined by X-ray diffraction analysis (CIF files CCDC nos. 1945900 (I) and 1945901 (II)). Specific noncovalent interactions I•••I and Br•••I leading to the formation of supramolecular polymers are observed in the crystal structure of complex I. The energies of the contacts are determined using quantum chemical methods.