Importance of halide involving interactions at Hoogsteen sites in supramolecular architectures of some coordination metal complexes of N(6)-benzyl/furfuryl adenine.

Background: Most of the benzyladenine and furfuryladenine derivatives inhibit tumor/cancer cell growth; their toxicity is lesser than the compounds used for the treatment of cancer now-a-days. Many cytokinin derivatives are tested for anticancer activity.

Results: A series of transition metal complexes containing N(6)-benzyl/furfuryl aminopurines of formula [Mn(FAH)2(H2O)(Cl3)]2.Cl2 (1), [Co(FAH)2(H2O)(Cl3)]2.Cl2 (2), [Co(FAH)2(Cl4)]2 .[Co(FAH)2(H3O)(Cl3)].Cl2 (3), [Ni(FAH)2(H2O)(Cl3)]2.Cl2. (H2O) (4), [Zn(BAH)Br3] (5) and [Cd2(BAH)2(μ-Br)4Br2]n (6) (where BAH and FAH benzyladeninium and furfuryladeninium cations respectively) have been synthesized and characterized. Crystal structures of (1-4) have similar distorted octahedral coordination geometry, while (5) and (6) have distorted tetrahedral geometry and octahedral geometries respectively. In (1-4) two halide ions and two cytokinin cations (BAH(+)/FAH(+)) are laterally coordinated to the metal ion. A water molecule and a halide ion are axially coordinated. But the coordination sphere of (5) consists of N7 coordinated benzyladeninium ion and three halide ions. The complex (6) is a coordination polymer bridged by bromide anions. A common notable feature in (1-4) is the presence of one or more lattice chloride anions. They help in a chain formation by N-H…Cl halide involving hydrogen bonding interactions in between the Hoogsteen site hydrogen.

Conclusions: The observed crystal structures emphasize the role of the halide ions in developing the supramolecular architectures by halide involving hydrogen bonding interactions. Also most of the reported cobalt cytokinin complexes possess tetrahedral coordination geometry, but some cobalt complexes have distorted octahedral coordination geometry, which are discussed and compared. Graphical AbstractSupramolecular architectures of some coordination metal complexes of N6-benzyl/furfuryl adenine.