Structural insights on the molecular recognition patterns between N6-substituted adenines and N-(aryl-methyl)iminodiacetate copper(II) chelates

► Molecular recognition between N6-R-adenines and Cu(II)-iminodiacetates are studied. ► N6-monosubstituted-adenines exhibit the CuN3 bond and the N9H · · · O interaction. ► N6,N6′-Methyladenine shows the CuN9 + N3H · · · O binding pattern. ► The cycloalkyladenine ligands show cytokinin activity, in contrast to Cu(II)complexes.