Abstract
The structure of the complex of 4-methylpyridine with pentachlorophenol (MPPCP) has been determined by X-ray diffraction methods. The crystals are triclinic, space group P 1 , with a = 7.408(6), b = 8.934(7), c = 13.653(9) Å, α = 100.15(6), β = 118.50(6), γ = 103.67(6)° and Z = 2. The structure solved by the direct methods has been refined to R = 0.026 for 1466 independent reflections. The CO bond length of 1.314(4) å, which is an average literature value for phenol and phenolate bond distances and the O⋯H⋯N hydrogen bond distance of 2.552(4) Å, together with IR and UV spectroscopic data, seem to show that the proton in the hydrogen bridge of MPPCP is described by an unsymmetrical double minimum potential energy curve with the vibrational ground level penetrating the top of the barrier.
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