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

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 D 3d 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.

2-Amino-6-methylpyridinium 4-methylbenzenesulfonate

“…For applications of benzenesulfonic acid, see: Wang & Wei (2007). For simple organic-inorganic salts containing strong intermolecular hydrogen bonds, see: Sethuram et al (2013a,b); Shihabuddeen Syed et al (2013); Showrilu et al (2013); Huq et al (2013). For bond-length data, see: Allen et al (1987).…”

“…Pyridine heterocycles and their derivatives are present in many large molecules having photo-chemical, electro-chemical and catalytic applications (Babu et al, 2014). Simple organic-inorganic salts containing strong intermolecular hydrogen bonds have attracted an attention as materials which display ferroelectric-paraelectric phase transitions (Sethuram, et al, 2013a,b;Huq et al, 2013;Shihabuddeen Syed et al, 2013;Showrilu et al, 2013). Hydrogen-bonding patterns involving sulfonate groups in biological systems and metal complexes are of current interest (Onoda et al, 2001).…”