Caffeine complexes of mercury(I): crystal structure of [Hg2(caffeine)2(NO3)2]

Abstract

The crystal structure of Hg2(caffeine)2(NO3)2 has been determined by X-ray diffraction methods. It crystallizes in the monoclinic space group C2/c with a=26.969(4), b=5.273(1), c=16.956(4) Å, β= 100.89(1)°, V=2368.0(9) Å3, Z=4. The structure has been solved from diffractometer data by Patterson and Fourier methods and refined by full-matrix least-squares to R=0.028 for 2404 observed reflections. The crystal contains discrete [Hg2(caffeine)2]2+ ions in which ---Hg---Hg ions are linearly bonded to N9. The structure is stabilized by a number of contacts between mercury and nitrate oxygens.