title: Crystal structure of a second polymorph of tricarbon-yl(N-methyl-pyridine-2-carboxamide-κ2N1,O)(thio-cyanato-κN)rhenium(I).
abstract: A new polymorph of the title compound, [Re(NCS)(C7H8N2O)(CO)3], crystallizing in the space groupP21/n, has been obtained and structurally characterized by the experiment and DFT calculations. In this complex, the rhenium(I) cation is octa-hedrally coordinated by three carbonyl groups in a facial configuration, theN,O-bidentateN-methyl-pyridine-2-carboxamide ligand and theN-bonded thio-cyanate anion. Neighbouring mol-ecules are linked into a three-dimensional network by inter-molecular N-H⋯S and C-H⋯S inter-actions.
authors.affiliation: Institute of Nuclear Chemistry and Technology, Dorodna 16, 03-195 Warsaw, Poland.
authors.forename: Krzysztof
authors.initials: K
authors.lastname: Lyczko
keywords: N-methylpyridine-2-carb­oxy­amide ligand; crystal structure; polymorphism; thio­cyanate ion; tri­carbonyl­rhenium(I) complex