934282-29-8Relevant academic research and scientific papers
Unusual O-coordination of caffeine in tetrakis(μ-3,5-dinitrobenzoato- k2O:O′)bis[(caffeine-kO)copper(II)]
Stachova, Petra,Moncol, Jan,Valigura, Dusan,Lis, Tadeusz
, p. m375-m377 (2006)
The title compound (systematic name: tetrakis(μ-3,5-dinitro-benzoato- k2O:O′)bis[(3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione- kO2)copper(II)]}, [Cu2(C7H3N 2O6)4(C8H10N 4O2)2], consists of paddle-wheel dimeric tetrakis(μ-3,5-dinitro-benzoato-k2O:O′)dicopper(II) units with O-coordinated caffeine molecules in both apical positions. The entire dimeric molecule lies on a tetragonal inversion 4 axis, and thus one nitrobenzoate anion with one Cu atom in a special position belong to the independent part of the molecule. The caffeine ligand bonded to the Cu atom is disordered on a local twofold non-crystallographic axis coincident with the 4 axis. A π-π stacking interaction is observed between the caffeine rings and adjacent symmetry-related benzene rings of the 3,5-dinitro-benzoate anions.
