Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 6 (June 2013)

metal-organic compounds

Acta Cryst. (2013). C69, 610-612    [ doi:10.1107/S0108270113011992 ]

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

S.-S. Liu, S. Yuan, H.-F. Lu, M.-Z. Xu and D. Sun

Abstract: 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-[mu]2-thio­cyanato-[kappa]4S:S;[kappa]4S: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 [mu]2-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 [mu]2-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.

Formula: (C12H20N4)[Cu2(NCS)4]

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MDL mol file (5.4 kbytes)
[ doi:10.1107/S0108270113011992/bg3158Isup3.mol ]
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