We report three complexes of Cd and Hg with two purine rare tautomers, N9-(pyridin-2-ylmethyl)-N-methoxyadenine, L1 and N7-(pyridin-2-ylmethyl)-N-methoxyadenine, L2, highlighting diverse crystallographic signatures exhibited by them. Influence of substituents, binding sites, steric effects and metal salts on the different modes of binding enabled an insight into metal-nucleobase interactions. L1 interacted with two and three equivalents of Cd(NO).4HO and HgCl, respectively, while L2 interacted with two equivalents of HgCl, altogether leading to three different complexes (1 [CHCdNO], 2 [CHClHgNO] and 3 [CHClHgNO]) possessing varied dimensionality and stabilising interactions. The photoluminescent properties of these coordination frameworks have also been probed. Notably, nanoring-like structures were obtained, as a result of self-assembly of 3 when investigated by transmission electron microscopy, additionally supported by molecular dynamics simulations.
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