I. Majerz, W. Sawka-Dobrowolska, L. Sobczyk
Aug 13, 1993
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0
Influential Citations
16
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract The structure of the adduct of 3-methylpyridine with 2,6-dichloro-4-nitrophenol has been determined by X-ray diffraction. The crystals are monoclinic, space group P 2 1 / c with a = 7.935(2), b = 23.789(7), c = 7.521(2)A, β = 112.44(2)° and Z = 4. The structure solved by direct methods was refined to R = 0.040 for 1564 non-zero independent reflections. The complex is characterized by one of the shortest NH⋯O hydrogen bridges with the N⋯O distance equal to 2.544(4)A. Both the estimated localization of the proton and the CO bond length (1.285(4)A) indicate that the proton is transferred from oxygen to nitrogen. In contrast, the UV and IR spectra imply a double minimum potential for the proton motion.