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

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.