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Structure and IR spectroscopic properties of the anhydrous 4-N,N-dimethylaminopyridinium pentachlorophenolate (1995)

Majerz, I. ; Malarski, Z. ; Sawka-Dobrowolska, W.

Springer

Journal of chemical crystallography 25 (1995), S. 189-193

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ISSN: 1572-8854

Keywords: Anhydrous ; hemihydrated ; geometric

Source: Springer Online Journal Archives 1860-2000

Topics: Geosciences , Physics

Notes: Abstract The structure of the anhydrous 4-N,N-dimethylaminopyridinium pentachlorophenolate has been determined by X-ray diffraction. The crystals are triclinic, space group $$\bar P1$$ witha=8.637(1),b=8.865(1),c=10.235(1) Å, α=83.80(1), β=86.88(1), γ=89.37(1)° andZ=2. The structure was solved by direct methods and refined to R=0.031 for 1874 non-zero reflections. The N+−H...O− hydrogen bond length is 2.579(4) Å and bond angle 165(3)°. The pyridinium ring plane is almost perpendicular to the phenolate ring plane (83.9(5)°). The ionic character and strongly asymmetric proton position in the hydrogen bond has been confirmed by the IR spectrum.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF01666105

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