Bis[(1,2-bis(2-( o -hydroxyphenoxy)ethyloxy)ethane)-(isothiocyanato)potassium] [K 2 (NCS) 2 (C 18 H 22 O 6 ) 2 ]: Crystal and Molecular Structure

Abstract

Complex of podand 1,2-bis(2-(o-hydroxyphenoxy)ethyloxy)ethane (L) with potassium thiocyanate, [K2(NCS)2L2] (I) was synthesized and studied using X-ray diffraction analysis: space group P $$ \overline 1 $$ , a = 7.771 A, b = 11.711 A, c = 11.965 A, α = 72.22°, β = 79.21°, γ = 89.07°, Z = 1. Structure I was solved by direct method and anisotropically refined by the full-matrix least-squares method to R = 0.040 for all 4370 independent reflections (CAD4 autodiffractometer, λMoK α). Structure I contains [K(NCS)L] monomers of the host–guest type united into centrosymmetrical [K2(NCS)2L2] dimers via two bridging OH groups (one group from two L podands). In the monomer, the L podand appears as though to envelope the octacoordinated K+ cation, whose the coordination polyhedron is a strongly distorted hexagonal bipyramid with all six oxygen atoms of the L podand in its base and the N atom of the SCN– ligand and the O atom of one of OH group of the neighboring (in dimer) L podand at its axial vertices. Molecules of I in crystal are joined through the O–H···N hydrogen bonds to form broad infinite chains along the x-axis.