Tetrakis(Isothiocyanato)zinc(II) 4,7,13,16,21,24-Hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane: Synthesis and Crystal Structure

Abstract

The salt tetrakis(isothiocyanato)zinc(II) 4,7,13,16,21,24-hexaoxa-1,10-diazoniabicyclo[8.8.8]hexacosane, [H2(Crypt-222)]2+ · [Zn(NCS)4]2– (I), was synthesized and its structure was determined using X-ray diffraction analysis: space group P21/n, a = 13.734 A, b = 11.627 A, c = 20.816 A, β = 91.51°, Z = 4. The structure was solved by direct methods and anisotropically refined by the full-matrix least-squares method to R =0.093 for 4920 independent reflections (CAD4 autodiffractometer, λCuKα radiation). The structural units of crystal I are 2.2.2-cryptand dications (with two protonated nitrogen atoms) and complex anions [Zn(NCS)4]2–. The coordination polyhedron of the Zn2+ cation is a distorted tetrahedron. The 2.2.2-cryptand dication contains trifurcate N–H(...O)3 hydrogen bonds.