Unusual O‐coordination of caffeine in tetrakis(μ‐3,5‐dinitrobenzoato‐κ2O:O′)bis[(caffeine‐κO)copper(II)] |
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Authors: | Tadeusz Lis Petra Stachov Duan Valigura Jan Moncol |
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Abstract: | The title compound {systematic name: tetrakis(μ‐3,5‐dinitrobenzoato‐κ2O:O′)bis(3,7‐dihydro‐1,3,7‐trimethyl‐1H‐purine‐2,6‐dione‐κO2)copper(II)]}, Cu2(C7H3N2O6)4(C8H10N4O2)2], consists of paddle‐wheel dimeric tetrakis(μ‐3,5‐dinitrobenzoato‐κ2O:O′)dicopper(II) units with O‐coordinated caffeine molecules in both apical positions. The entire dimeric molecule lies on a tetragonal inversion 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 axis. A π–π stacking interaction is observed between the caffeine rings and adjacent symmetry‐related benzene rings of the 3,5‐dinitrobenzoate anions. |
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