Crystal structure and DNA cleavage properties of a vanadium complex [NH4][VO(O2)2(pm-im)]⋅3H2O containing 2-(1H-imidazol-2-yl)pyrimidine ligand.

A new diperoxovanadium compound, [NH4][VO(O2)2(pm-im)]⋅3H2O (1) (pm-im = 2-(1H-imidazol-2-yl)pyrimidine), has been prepared from aqueous solution and its crystal structure has been determined by single-crystal X-ray diffraction. It belongs to the monoclinic P21/n space group with a = 6.798(4) Å, b = 11.468(6) Å, c = 18.073(9) Å, β = 96.020(6)°, V = 1401.3(13) Å3, and Z = 4. The asymmetric unit of 1 consists of a diperoxovanadium [VO(O2)2(pm-im)]− anion, one free NH4+ counterion, and three lattice water molecules, which are further stacked to form a three-dimensional (3D) supramolecular structure through intra- and intermolecular hydrogen bond interactions. The solution stability of the ion ([VO(O2)2(pm-im)]−) was explored using a combination of multinuclear (1H, 13C, and 51V) magnetic resonance and variable temperature NMR in a 0.15 mol L−1 NaCl/D2O solution that mimics physiological conditions. Additionally, the compound exhibits significant DNA cleavage ability under light, and the electrophoretic result shows that the super helix DNA seems to be directly cleaved into single stranded DNA. [ABSTRACT FROM AUTHOR]