Metal binding pattern of acyclovir in ternary copper(II) complexes having an S-thioether or S-disulfide NO2S-tripodal tetradentate chelator

The molecular and crystal structure of two novel Cu(II) complexes with NO2S-tripodal tetradentate chelators and acyclovir coligands are reported. Acyclovir features the rather uncommon N7,O6-chelating metal binding mode. The metal exhibits an asymmetric elongated octahedral coordination, type 4+1+1, with S-(thioether or disulfide) and O6-acyclovir atoms in trans-apical/distal Cu(II) coordination sites.126