N,O2,S-tripodal Cu(II) chelates bind adenine (Hade) or 2,6-diaminopurine (Hdap).
The N-branched topology of the chelators strongly favors the formation of Cu–S bonds.
The S(thioether or disulfide) donor occupies a distal site in Cu(II) coordination.
N7-H(N9)ade, μ2-N3,N7-H(N9)ade or μ2-N7,N9-H(N3)dap modes are reported.
Cu–N(purine) bonds cooperate with intra-molecular N–H⋯O interligand interactions.