Abstract
The reaction of Co(NCS)2 with urotropine in ethanol leads to the formation of two different compounds, namely, bis-(ethanol-κO)bis-(hexa-methyl-ene-tetra-mine-κN)bis-(thio-cyanato-κN)cobalt(II)-di-aqua-κ 2O-bis-(hexa-methyl-ene-tetra-mine-κN)bis-(thio-cyanato-κN)cobalt(II)-ethanol-hexa-methyl-ene-tetra-mine (1.2/0.8/1.6/4), [Co(NCS)2(C6H12N4)2(C2H6O)2]1.2·[Co(NCS)2(C6H12N4)2(H2O)2]0.8·1.6C2H6O·4C6H12N4, 1, and tris-(ethanol-κO)(hexa-methyl-ene-tetra-mine-κN)bis(thio-cyanato-κN)cobalt(II), [Co(NCS)2(C6H12N4)(C2H6O)3], 2. In the crystal structure of compound 1, two crystallographically independent discrete complexes are observed that are located on centres of inversion. In one of them, the Co cation is octa-hedrally coordinated to two terminal N-bonded thio-cyanate anions, two urotropine ligands and two ethanol mol-ecules, whereas in the second complex 80% of the coordinating ethanol is exchanged by water. Formally, compound 1 is a mixture of two different complexes, i.e. di-aqua-dithio-cyanato-bis-(urotropine)cobalt(II) and di-ethano-ldi-thio-cyanato-bis-(uro-trop-ine)cobalt(II), that contain additional ethanol and urotropine solvate mol-ecules leading to an overall composition of [Co(NCS)2(urotropine)2(ethanol)1.2(H2O)0.8·0.8ethanol·4urotropine. Both discrete complexes are linked by inter-molecular O-H⋯O and O-H⋯N hydrogen bonding and additional urotropine solvate mol-ecules into chains, which are further connected into layers. These layers combine into a three-dimensional network by pairs of centrosymmetric inter-molecular C-H⋯S hydrogen bonds. In the crystal structure of compound 2, di-thio-cyanato-(urotropine)tri-ethano-lcobalt(II), the cobalt cation is octa-hedrally coordinated to two terminal N-bonded thio-cyanate anions, one urotropine ligand and three ethanol mol-ecules into discrete complexes, which are located in general positions. These complexes are linked by inter-molecular O-H⋯N hydrogen bonding into layers, which are further connected into a three-dimensional network by inter-molecular C-H⋯S hydrogen bonding.
Highlights
The reaction of Co(NCS)2 with urotropine in ethanol leads to the formation of two different compounds, namely, bis(ethanol-O)bis(hexamethylenetetramineN)bis(thiocyanato-N)cobalt(II)–diaqua-2O-bis(hexamethylenetetramineN)bis(thiocyanato-N)cobalt(II)–ethanol–hexamethylenetetramine (1.2/0.8/ 1.6/4), [Co(NCS)2(C6H12N4)2(C2H6O)2]1.2Á[Co(NCS)2(C6H12N4)2(H2O)2]0.8Á1.6C2H6OÁ4C6H12N4, 1, and tris(ethanol-O)(hexamethylenetetramine-N)bis(thiocyanato-N)cobalt(II), [Co(NCS)2(C6H12N4)(C2H6O)3], 2
Both discrete complexes are linked by intermolecular O—HÁ Á ÁO and O—HÁ Á ÁN hydrogen bonding and additional urotropine solvate molecules into chains, which are further connected into layers
These complexes are linked by intermolecular O—HÁ Á ÁN hydrogen bonding into layers, which are further connected into a three-dimensional network by intermolecular C—HÁ Á ÁS hydrogen bonding
Summary
We reported the crystal structure of two new coordination compounds with the composition [Co(NCS)2(urotropine)2(ethanol)2] and [Co(NCS)2(ethanol)4](urotropine) (Krebs et al, 2022) Both compounds consist of discrete complexes, in which the cobalt cations are octahedrally coordinated by two terminal N-bonded thiocyanate anions and by four ethanol and two ethanol and two urotropine ligands, respectively. These investigations were performed to prepare precursors that on thermal decomposition transform into coordination polymers in which the cobalt cations are linked by -1,3 bridging thiocyanate anions into chains or layers (Nather et al, 2013). Crystallizes, presumably by kinetic control, which means that the synthesis is difficult to control
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