Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)

metal-organic compounds

Acta Cryst. (2013). E69, m469-m470    [ doi:10.1107/S1600536813019739 ]

Diammonium tetra­kis­(iso­thio­cyanato)­zincate-1,4,10,13,16-hexa­oxa­cyclo­octa­deca­ne-water (1/2/1)

K. Showrilu, K. Rajarajan and M. NizamMohideen

Abstract: The title compound, (NH4)2[Zn(NCS)4]·2C12H24O6·H2O, the result of the reaction of ammonium thio­cyanate, 18-crown-6 and zinc(II) chloride in aqueous solution, exhibits an unusual supra­molecular structure. The Zn atom, two of the thio­cyanate chains and a water mol­ecule, disordered over two positions, lie on a mirror plane. The macrocycle adopts a conformation with approximate D3d symmetry. The ammonium mol­ecules are contained within the bowl of the macrocycle via extensive N-H...O hydrogen bonds and the complex mol­ecules are linked via N-H...S hydrogen bonds, forming chains along the c-axis direction. The macrocycle is disordered over two positions [refined occupancy ratio = 0.666 (8):0.334 (8)]. The S atoms of two iso­thio­cyanate ligands are disordered within and about the mirror plane.

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