Crystal structure of a second polymorph of tricarbonyl(N-methylpyridine-2-carboxamide-κ2N1,O)(thiocyanato-κN)rhenium(I)

Abstract

A new polymorph of the title compound, [Re(NCS)(C7H8N2O)(CO)3], crystallizing in the space group P21/n, has been obtained and structurally characterized by the experiment and DFT calculations. In this complex, the rhenium(I) cation is octahedrally coordinated by three carbonyl groups in a facial configuration, the N,O-bidentate N-methylpyridine-2-carboxamide ligand and the N-bonded thiocyanate anion. Neighbouring molecules are linked into a three-dimensional network by intermolecular N—H...S and C—H...S interactions.

Keywords

• crystal structure
• tricarbonylrhenium(I) complex
• N-methylpyridine-2-carboxyamide ligand
• thiocyanate ion
• polymorphism