fac-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ2 S,S′)rhenium(I): crystal structure and Hirshfeld surface analysis
نویسندگان
چکیده
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.
منابع مشابه
Crystal structure of fac-aquatricarbonyl[(S)-valinato-κ2 N,O]rhenium(I)
In the mol-ecule of the title compound, [Re(C5H10NO2)(CO)3(H2O)], the Re(I) atom adopts a distorted octa-hedral coordination sphere defined by one aqua and three carbonyl ligands as well as one amino N and one carboxyl-ate O atom of the chelating valinate anion. The carbonyl ligands are arranged in a fac-configuration around the Re(I) ion. In the crystal, an intricate hydrogen-bonding system un...
متن کامل[N-Benzyl-N-(2-phenylethyl)dithiocarbamato-κ2 S,S′]triphenyltin(IV) and [bis(2-methoxyethyl)dithiocarbamato-κ2 S,S′]triphenyltin(IV): crystal structures and Hirshfeld surface analysis
The crystal and mol-ecular structures of two tri-phenyl-tin di-thio-carbamates, [Sn(C6H5)3(C16H16NS2)], (I), and [Sn(C6H5)3(C7H14NO2S2)], (II), are described. In (I), the di-thio-carbamate ligand coordinates the SnIV atom in an asymmetric manner, leading to a highly distorted trigonal-bipyramidal coordination geometry defined by a C3S2 donor set with the weakly bound S atom approximately trans ...
متن کاملBis(μ2-N-methyl-N-phenyldithiocarbamato)-κ3 S,S′:S;κ3 S:S,S′-bis[(N-methyl-N-phenyldithiocarbamato-κ2 S,S′)cadmium]: crystal structure and Hirshfeld surface analysis
The title compound, [Cd2(C8H8NS2)4], is a centrosymmetric dimer with both chelating and μ2-tridentate di-thio-carbamate ligands. The resulting S5 donor set defines a CdII coordination geometry inter-mediate between square-pyramidal and trigonal-bipyramidal, but tending towards the former. The packing features C-H⋯S and C-H⋯π inter-actions, which generate a three-dimensional network. The influen...
متن کاملDistinct coordination geometries in bis[N,N-bis(2-methoxyethyl)dithiocarbamato-κ2 S,S′]diphenyltin(IV) and bis[N-(2-methoxyethyl)-N-methyldithiocarbamato-κ2 S,S′]diphenyltin(IV): crystal structures and Hirshfeld surface analysis
The crystal and mol-ecular structures of two di-phenyl-tin bis-(di-thio-carbamate)s, [Sn(C6H5)2(C5H10NOS2)2], (I), and [Sn(C6H5)2(C7H14NO2S2)2], (II), are described. In (I), in which the metal atom lies on a twofold rotation axis, the di-thio-carbamate ligand coordinates with approximately equal Sn-S bond lengths and the ipso-C atoms of the Sn-bound phenyl groups occupy cis-positions in the res...
متن کاملBis{4-methylbenzyl 2-[4-(propan-2-yl)benzylidene]hydrazinecarbodithioato-κ2 N 2,S}nickel(II): crystal structure and Hirshfeld surface analysis
The complete mol-ecule of the title hydrazine carbodi-thio-ate complex, [Ni(C19H21N2S2)2], is generated by the application of a centre of inversion. The NiII atom is N,S-chelated by two hydrazinecarbodi-thio-ate ligands, which provide a trans-N2S2 donor set that defines a distorted square-planar geometry. The conformation of the five-membered chelate ring is an envelope with the NiII atom being...
متن کامل