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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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