Anion-induced structural diversity in cadmium coordination polymers of 4-aminobenzonitrile: a structural and DFT study

Using 4-aminobenzonitrile (4-ABN) as a ligand and different anions, five cadmium coordination polymers of the formulae [Cd(4-ABN)I-2](n) (1), [Cd(4-ABN)Br-2](n) (2), [Cd(4-ABN)(2)(NO3)(2)](n) (3), [Cd(4-ABN)(2)(OAc)(2)](n) (4) and {[Cd(4-ABN)(2)(H2O)(2)](ClO4)(2)}(n) (5) are synthesized and structurally characterized. By changing the anion used, different structural motifs were formed. Compounds 1, 4 and 5 are 1D coordination polymers, while compounds 2 and 3 represent 3D and 2D coordination polymers, respectively. Also, Hirshfeld surface analysis and density functional theory (DFT) calculation on crystalline systems have been performed.