Title of article :
Crystal structure of a second polymorph of tricarbonyl(N-methylpyridine-2-carboxamide-κ2N1,O)(thiocyanato-κN)rhenium(I)
Author/Authors :
Lyczkoa, Krzysztof Institute of Nuclear Chemistry and Technology, Poland
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 , polymorphism , thiocyanate ion
Journal title :
Acta Crystallographica Section E: Crystallographic Communications