A novel two-dimensional CuSCN network templated by 2,2′-dimethyl-1,1′-(butane-1,4-diyl)bis(1H-imidazol-3-ium) cations

The cation-templated self-assembly of 1,4-bis­(2-methyl-1H-imidazol-1-yl)butane (bmimb) with CuSCN gives rise to a novel two-dimensional network, namely catena-poly[2,2′-dimethyl-1,1′-(butane-1,4-di­yl)bis­(1H-imidazol-3-ium) [tetra-μ2-thio­cyanato-κ4S:S;κ4S:N-dicopper(I)]], {(C12H20N4)[Cu2(NCS)4]}n. The CuI cation is four-coordinated by one N and three S atoms, giving a tetra­hedral geometry. One of the two crystallographically independent SCN− anions acts as a μ2-S:S bridge, binding a pair of CuI cations into a centrosymmetric [Cu2(NCS)2] subunit, which is further extended into a two-dimensional 44-sql net by another kind of SCN− anion with an end-to-end μ2-S:N coordination mode. Inter­estingly, each H2bmimb dication, lying on an inversion centre, threads through one of the windows of the two-dimensional 44-sql net, giving a pseudorotaxane-like structure. The two-dimensional 44-sql networks are packed into the resultant three-dimensional supra­molecular framework through bmimb–SCN N—H⋯N hydrogen bonds.