Halogen bonding in heteroleptic Cu(II) 2-iodobenzoates

Abstract

© 2019 Elsevier Ltd Reactions of [Cu4(2-IBz)4(H2O)2] with various substituted pyridines in chloroform resulted in a series of isotypic complexes [Cu2(2-IBz)4L2]·HCCl3 (2-IBz = 2-iodobenzoate, L = Py (1), 3-MePy (2), 4-MePy (3), 3-ClPy (4), 3-BrPy (5), 3,5-ClPy (6) and 3,5-MePy (7)). In all cases, halogen bonding between iodine atoms of 2-iodobenzoate units is observed; in 6, it is accompanied by Cl⋯I contacts between 3,5-ClPy and 2-IBz ligands. The energy of halogen bonding in all structures varies from 1.3 to 4.3 kcal/mol.