On the importance of antiparallel CO⋯C-F interactions in N1-(3-hydroxypropyl)-5-fluorouracilate-Hg(II) complex: A combined X-ray and DFT study

A neutral mercury(II) complex of composition [Hg(L)2]n (1), [L = N1-(3-hydroxypropyl)-5-fluorouracilate] is described. The Hg(II) is bound to the N(3) atoms of the two ligands and to the ancillary O(4) atoms of the uracil rings. The two bases are almost coplanar. Surprisingly, two hydroxyl groups from different units are also bound in apical positions. Unprecedented antiparallel CO⋯C-F interactions are described since they have a strong influence in the crystal packing of the complex.65