Crystal structures of two Co(NCS)(2) urotropine coordination compounds with different Co coordinations

The reaction of Co(NCS)(2) with urotropine in ethanol leads to the formation of two different compounds, namely, bis­(ethanol-κO)bis­(hexa­methyl­ene­tetra­mine-κN)bis­(thio­cyanato-κN)cobalt(II)–di­aqua-κ (2)O-bis­(hexa­methyl­ene­tetra­mine-κN)bis­(thio­cyanato-κN)cobalt(II)–ethanol–hexa­methyl­ene­tetra­mine (1.2/0.8/1.6/4), [Co(NCS)(2)(C(6)H(12)N(4))(2)(C(2)H(6)O)(2)](1.2)·[Co(NCS)(2)(C(6)H(12)N(4))(2)(H(2)O)(2)](0.8)·1.6C(2)H(6)O·4C(6)H(12)N(4), 1, and tris­(ethanol-κO)(hexa­methyl­ene­tetra­mine-κN)bis(thio­cyanato-κN)cobalt(II), [Co(NCS)(2)(C(6)H(12)N(4))(C(2)H(6)O)(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 octa­hedrally coordinated to two terminal N-bonded thio­cyanate anions, two urotropine ligands and two ethanol mol­ecules, 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. di­aqua­dithio­cyanato­bis­(urotropine)cobalt(II) and di­ethano­ldi­thio­cyanato­bis­(uro­trop­ine)cobalt(II), that contain additional ethanol and urotropine solvate mol­ecules leading to an overall composition of [Co(NCS)(2)(urotropine)(2)(ethanol)(1.2)(H(2)O)(0.8)·0.8ethanol·4urotropine. Both discrete complexes are linked by inter­molecular O—H⋯O and O—H⋯N hydrogen bonding and additional urotropine solvate mol­ecules into chains, which are further connected into layers. These layers combine into a three-dimensional network by pairs of centrosymmetric inter­molecular C—H⋯S hydrogen bonds. In the crystal structure of compound 2, di­thio­cyanato­(urotropine)tri­ethano­lcobalt(II), the cobalt cation is octa­hedrally coordinated to two terminal N-bonded thio­cyanate anions, one urotropine ligand and three ethanol mol­ecules into discrete complexes, which are located in general positions. These complexes are linked by inter­molecular O—H⋯N hydrogen bonding into layers, which are further connected into a three-dimensional network by inter­molecular C—H⋯S hydrogen bonding.