(Dibenzo-18-Crown-6) ammonium Bromide Tetrahydrofuran Solvate: Synthesis and Crystal Structure

A new compound, (dibenzo-18-crown-6) ammonium bromide tetrahydrofuran solvate [NH(4)(Db(18)C(6))](+) center dot Br(-) center dot THF (I), is synthesized and studied by X-ray diffraction analysis. The crystals of compound I are triclinic: a = 8.848 angstrom, b = 9.696 angstrom, c = 16.023 angstrom, alpha = 73.75 degrees, beta = 86.93 degrees, gamma = 78.06 degrees, Z = 2, space group P (1) over bar. The structure of compound I is solved by a direct method and refined by full-matrix least squares in the anisotropic approximation to R = 0.095 by 5624 independent reflections (CAD-4 automated diffractometer, lambda oK(alpha)). The Db18C6 molecule in structure I has a butterfly conformation with approximate symmetry C(2v). The cation where three disordered H atoms form hydrogen bonds with all six O atoms of the Db18C6 molecule is situated in the center of the cavity of the eighteen-membered macrocycle of the Db18C6 molecule. One ordered H atom of the cation forms a strong hydrogen bond with the Br(-) anion.