I. Majerz et al., STRUCTURE AND IR, UV SPECTROSCOPIC BEHAVIOR OF AZABICYCLO[222]OCTANE PENTACHLOROPHENOLATE, Journal of crystallographic and spectroscopic research, 23(7), 1993, pp. 555-561
The structure of C6Cl5O-.C7H13NH+ has been determined by X-ray diffrac
tion. The crystals are orthorhombic: Pcab, a = 10.706(1), b = 11.966(2
), c = 24.913(5) angstrom, Z = 8. The structure was solved by direct m
ethods, and refined to R = 0.042 for 1523 nonzero reflections. The N+-
H...O- hydrogen bond is shortened (2.553(5) angstrom) and deformed (<N
HO = 164(4)-degrees, < CON = 137.0(3)-degrees). IR and UV spectra indi
cate the ionic character of the complex and a moderately strong hydrog
en bond.