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Crystal structure of bis-(tetra-methyl-thio-urea-?S)bis-(thio-cyanato-?N)nickel(II).

ABSTRACT: In the course of our investigations regarding transition-metal thio-cyanates with thio-urea derivatives, the title compound, [Ni(NCS)2(C5H12N2S)2], was obtained. The asymmetric unit consists of one thio-cyanate anion and one tetra-methyl-thio-urea mol-ecule on general positions, as well as one NiII cation that is located on a twofold rotational axis. In this compound, discrete complexes are formed in which the NiII cations are surrounded by two trans-N-bonding thio-cyanate anions as well as two trans-S-bonding tetra-methyl-thio-urea mol-ecules within a distorted square-planar coordination geometry. The discrete complexes are linked by pairs of weak C-H?S hydrogen bonds between the thio-cyanate S and one of the tetra-methyl-thio-urea methyl hydrogen atoms into chains along the crystallographic a- and c-axis directions, which are combined into layers parallel to the ac plane. X-ray powder diffraction proves that a pure crystalline phase was obtained and measurements using thermogravimetry and differential thermoanalysis reveal that the compound decomposes at about 408?K, where all tetra-methyl-thio-urea mol-ecules are lost.

SUBMITTER: Jochim A 

PROVIDER: S-EPMC7784658 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of bis-(tetra-methyl-thio-urea-κ<i>S</i>)bis-(thio-cyanato-κ<i>N</i>)nickel(II).

Jochim Aleksej A   Radulovic Rastko R   Jess Inke I   Näther Christian C  

Acta crystallographica. Section E, Crystallographic communications 20201117 Pt 12

In the course of our investigations regarding transition-metal thio-cyanates with thio-urea derivatives, the title compound, [Ni(NCS)<sub>2</sub>(C<sub>5</sub>H<sub>12</sub>N<sub>2</sub>S)<sub>2</sub>], was obtained. The asymmetric unit consists of one thio-cyanate anion and one tetra-methyl-thio-urea mol-ecule on general positions, as well as one Ni<sup>II</sup> cation that is located on a twofold rotational axis. In this compound, discrete complexes are formed in which the Ni<sup>II</sup> cati  ...[more]

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