L. Nunez et Rd. Rogers, SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF [H-2(DIAZA-18-CROWN-6)][CUCL4]CENTER-DOT-H2O, Journal of chemical crystallography, 27(1), 1997, pp. 5-10
A protonated diaza-18-crown-6 copper(II) chloride complex was crystall
ized from a mixture of YCl3, BaCl2, and Cu(C2H3O2)(2) in 3:1 CH3OH/CH3
CN. [H-2(diaza-18-crown-6)][CuCl4]. H2O crystallizes in the centric sp
ace group, <P(1)over bar> with: a = 7.429(2) Angstrom, b = 10.099(3) A
ngstrom, c = 14.779(9) Angstrom, alpha = 83.76(5)degrees, beta = 81.70
(3)degrees, gamma = 75.59(3)degrees, and D-calc = 1.53 g/cm(3) for Z =
2. The [CuCl4](2-) anion is a distorted tetrahedron and is hydrogen-b
onded to two unique diazacrown molecules. The bonding results in zig-z
ag contacts that form a polymeric network diagonally oriented in the b
e plane. One of the two unique azacrown molecules maintains a slightly
distorted D-3d conformation stabilized by hydrogen bonding from a dis
ordered water molecule and to the [CuCl4](2-) anion. The hydrogen bond
ing of the disordered water molecule bridges one form of the protonate
d macrocycle and forms polymeric chains along the a direction. The oth
er unique azacrown molecule adopts a distorted C-2 configuration and h
as no interactions with the water molecule.