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fac-Aceto-nitrile-tricarbon-yl(di-methyl-carbamodi-thio-ato-?2S,S')rhenium(I): crystal structure and Hirshfeld surface analysis.

ABSTRACT: The title compound, [Re(C3H6NS2)(C2H3N)(CO)3], features an octa-hedrally coordinated ReI atom within a C3NS2 donor set defined by three carbonyl ligands in a facial arrangement, an aceto-nitrile N atom and two S atoms derived from a symmetrically coordinating di-thio-carbamate ligand. In the crystal, di-thio-carbamate-methyl-H?O(carbon-yl) inter-actions lead to supra-molecular chains along [36-1]; both di-thio-carbamate S atoms participate in intra-molecular methyl-H?S inter-actions. Further but weaker aceto-nitrile-C-H?O(carbonyl) inter-actions assemble mol-ecules in the ab plane. The nature of the supra-molecular assembly was also probed by a Hirshfeld surface analysis. Despite their weak nature, the C-H?O contacts are predominant on the Hirshfeld surface and, indeed, on those of related [Re(CO)3(C3H6NS2)L] structures.

SUBMITTER: Tan SL 

PROVIDER: S-EPMC5290568 | biostudies-literature | 2017 Feb

REPOSITORIES: biostudies-literature

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<i>fac</i>-Aceto-nitrile-tricarbon-yl(di-methyl-carbamodi-thio-ato-κ<sup>2</sup><i>S</i>,<i>S</i>')rhenium(I): crystal structure and Hirshfeld surface analysis.

Tan Sang Loon SL   Lee See Mun SM   Heard Peter J PJ   Halcovitch Nathan R NR   Tiekink Edward R T ER  

Acta crystallographica. Section E, Crystallographic communications 20170120 Pt 2

The title compound, [Re(C<sub>3</sub>H<sub>6</sub>NS<sub>2</sub>)(C<sub>2</sub>H<sub>3</sub>N)(CO)<sub>3</sub>], features an octa-hedrally coordinated Re<sup>I</sup> atom within a C<sub>3</sub>NS<sub>2</sub> donor set defined by three carbonyl ligands in a <i>facial</i> arrangement, an aceto-nitrile N atom and two S atoms derived from a symmetrically coordinating di-thio-carbamate ligand. In the crystal, di-thio-carbamate-methyl-H⋯O(carbon-yl) inter-actions lead to supra-molecular chains along [  ...[more]

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