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Acta crystallographica. Section C, Crystal structure communications

Two isomorphous transition metal complexes containing a protonated diaminopurine ligand: diaquabis(2,6-diamino-7H-purin-1-ium-κN9)bis(homophthalato-κO)nickel(II) tetrahydrate and the cobalt(II) analogue.


PMID 21540537

Abstract

The two isomorphous title compounds, [M(C(5)H(7)N(6))(2)(C(9)H(6)O(4))(2)(H(2)O)(2)]·4H(2)O or M(2+)(Hdap(+))(2)(hpt(2-))(2)(H(2)O)(2)·4H(2)O {where dap is 2,6-diaminopurine, H(2)hpt is homophthalic acid [2-(2-carboxyphenyl)acetic acid] and M is Ni(II) or Co(II)}, consist of neutral M(2+)(Hdap(+))(2)(hpt(2-))(2)(H(2)O)(2) monomers, where the M(II) cation lies on an inversion centre and its MN(2)O(4) octahedral environment is defined by one N atom (from Hdap(+)), two O atoms (from one hpt(2-) dianion and one water molecule) and their inversion images. The structures are unusual in that the Hdap(+) cation occurs in an uncommon protonated state (as 2,6-diamino-7H-purin-1-ium) and both ligands bind in an unprecedented monodentate fashion. The existence of a large number of donors and acceptors for hydrogen bonding, together with π-π interactions, leads to a rather complex three-dimensional structure.

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247847
2,6-Diaminopurine, 98%
C5H6N6