The Crystal and Molecular-Structure of 4,7,13-Trioxa-1,10-diazacyclopentadecanepotassium(I) Thiocyanate

Abstract

The crystal structure of the title compound

[K(-NHCH₂CH₂OCH₂CH₂OCH₂CH₂NHCH₂CH₂OCH₂CH₂-)(NCS)]

has been determined. Potassium(I) is 1.41 Ǻ above the plane of the three oxygens of the 4,7,13-trioxa-1,10-diazacyclopentadecane ligand, and is seven-coordinated. Potassium(I) is 2.871(7), 2.798(7) and 2.772(7)Ǻ from the three oxygens, and 2.905(8) and 2.945(8)Ǻ from the two nitrogens of 4,7,13-trioxa-1,10-diazacyclopentadecane, 2.861(7)Ǻ from an oxygen of a second such ligand, and 2.809(8)Ǻ from the thiocyanate nitrogen. Crystals are monoclinic, space group P2₁/n with unit cell parameters a 8.015(4), b 14.755(4), c 13.744(4)Ǻ, β 95.37(3)°, and Z 4. The structure was solved by direct methods and refined by a full-matrix least-squares procedure to final R 0.089, Rw 0.099 for 981 reflections with I ≥ 2.5σ(I).