SOLID-STATE STRUCTURE OF THE HYDRATED POTASSIUM THIOCYANATE COMPLEX OF BENZODINAPHTHOPYRIDINO-21-CROWN-7, C37H31NO6.KSCN.H2O (1/1/1)

Single crystal X-ray analysis of the hydrated KSCN complex of benzodinaphthopyridino-21-crown-7 (1) (1:1:1) is reported. Crystals of the complex are orthorhombic, Pnma, with a = 16.946(4), b = 22.298(4), c = 10.390(8) angstrom and D(c) = 1.184 g cm-1, Z = 4. The host macroring (1) has a mirror symmetry and exists in a so-called 'dentists chair' conformation. The cation (K+) is coordinated to all the six ether oxygen atoms and also weakly to the pyridine N atom. The SCN- anion group has a statistical type of disorder with opposite orientations of S and N such that nitrogen and sulphur are coordinated to K+. Packing of the host molecules is in columns to form quasi channels with K+, SCN-, and H2O being located inside the stacks.