Crystal structure of fac-tricarbonylchloridobis(4-hydroxypyridine)rhenium(I)–pyridin-4(1H)-one (1/1)

Abstract

The asymmetric unit of the title compound, [ReCl(C5H5NO)2(CO)3]·C5H5NO, contains one molecule of the complex fac-[ReCl(4-pyOH)2(CO)3] (where 4-pyOH represents 4-hydroxypyridine) and one molecule of pyridin-4(1H)-one (4-HpyO). In the molecule of the complex, the Re atom is coordinated to two N atoms of the two 4-pyOH ligands, three carbonyl C atoms, in a facial configuration, and the Cl atom. The resulting geometry is slightly distorted octahedral. In the crystal structure, both fragments are associated by hydrogen bonds; two 4-HpyO molecules bridge between two molecules of the complex using the O=C group as acceptor for two different HO– groups of coordinated 4-pyOH from two neighbouring metal complexes. The resulting square arrangements are extented into infinite chains by hydrogen bonds involving the N—H groups of the 4-HpyO molecule and the chloride ligands. The chains are further stabilized by π-stacking interactions.

Keywords

• crystal structure
• rhenium(I) compounds
• 4-hydroxypyridine
• pyridin-4(1H)-one