Supramolecular Bromoantimonate(V) Polybromide (2,6-BrPyH)3[SbBr6]{(Br2)Br} · 2H2O: Specific Features of Halogen···Halogen Contacts in the Crystal Structure

The reaction of a solution of Sb2O3 in HBr in the presence of Br2 with a solution of 2,6-dibromopyridine (2,6-BrPy) in HBr affords supramolecular bromoantimonate polybromide (2,6-BrPy)3[SbBr6]-{(Br2)Br} · 2H2O (I). The structure of compound I is determined by X-ray structure analysis (СIF file CCDC no. 1962867). The energies of noncovalent Br···Br interactions in the solid state are estimated by quantum-chemical calculations.