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Structure and spectroscopic behaviour of the β-phase of 2,4,6-trimethylpyridinium pentachlorophenolate

Authors
Journal
Journal of Molecular Structure
0022-2860
Publisher
Elsevier
Publication Date
Volume
273
Identifiers
DOI: 10.1016/0022-2860(92)87082-7

Abstract

Abstract The structure of the β-phase of 2,4,6-trimethylpyridinium pentachlorophenolate has been determined by X-ray diffraction. The crystals are monoclinic, space group P2 1/ n with a = 13.957(3), b = 13.432(2), c = 8.770(2) Å, β = 98.79(2)° and Z = 4. The structure has been solved by direct methods and refined to R = 0.036 for 1636 independent reflections. The O −⋯HN + bridge of 2.659(4) Å with ∠ OHN = 173(4)° is characterized by strongly asymmetric proton distribution. The shortened CO bond length of 1.264(4) Å and the ν(N +H⋯O −) protonic absorption in the 2660 cm −1 region confirm the ionic character of the complex.

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