Halide Complexes [(2-Br-5-MePy)2ZnX2] (X = Cl, Br): Structure and Noncovalent Interactions in the Crystal Structure

The heteroligand complexes [(2-Br-5-MePy)₂ZnX₂] (X = Cl (I), Br (II)) were prepared by the reaction of zinc(II) chloride or bromide with 2-bromo-5-methylpyridine and studied by X-ray diffraction (CCDC nos. 2204966 (I) and 2204967 (II)). The crystals of I and II contain Cl···Br and Br···Br halogen bonds, which connect the [MX₂L₂] moieties into supramolecular chains. The energies of these noncovalent interactions were estimated using quantum chemical calculations.