Crystal structure of bis(tetramethylthiourea-κS)bis(thiocyanato-κN)cobalt(II)

Autor: Christian Näther, Inke Jess, Aleksej Jochim, Rastko Radulovic
Jazyk: angličtina
Rok vydání: 2020
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications, Vol 76, Iss 8, Pp 1373-1377 (2020)
Acta Crystallographica Section E: Crystallographic Communications
ISSN: 2056-9890
Popis: The title compound consists of discrete complexes with the composition Co(NCS)2(tetra­methyl­thio­urea)2, in which the CoII cations are tetra­hedrally coordinated by two N-bonded thio­cyanate anions and two tetra­methyl­thio­urea ligands. These complexes are linked by inter­molecular C—H⋯S hydrogen bonds into layers that are parallel to the ab plane.
In the course of systematic investigations on the synthesis of Co(NCS)2 coordination compounds with different thio­urea ligands, the title compound, [Co(NCS)2(C5H12N2S)2], was obtained. In this compound the CoII cations are coordinated by two crystallographically independent N-bonded thio­cyanate anions and two tetra­methyl­thio­urea ligands into discrete complexes that are located in general positions and show a strongly distorted tetra­hedral geometry. Inter­molecular C—H⋯S hydrogen bonds of different strength can be observed between the discrete complexes, which are connected by pairs of hydrogen bonds into zigzag-like chains that elongate in the b-axis direction. These chains are additionally linked by strong C—H⋯S hydrogen bonds along the a-axis direction, resulting in the formation of layers that are parallel to the ab plane. There is also one weak intra­molecular C—H⋯S hydrogen bond between two neighbouring thio­urea ligands within the complexes. Comparison of the experimental PXRD pattern with that calculated from the single-crystal data prove that a pure phase has been obtained. Thermoanalytical investigations reveal that this compound melts at 364 K and decomposes upon further heating.
Databáze: OpenAIRE