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.
Similar content being viewed by others
References
Majerz, I.; Malarski, Z.; Lis, T.Bull. Pol. Ac. Sci. Chem. 1989,37, 81.
Sheldrick, G.M., SHELX86,Program for the solution of crystal structure; Univ. of Gottingen: 1986.
Walker, N.; Stuart, D.,Acta Crystallogr. 1983,A39, 158.
Syntex XTL/XTLE Structure Determination System, Syntex Analytical Instruments: Cupertino, CA, 1976.
International Tables for X-ray Crystallography, Vol. IV; Kynoch Press: Birmingham, 1974.
Brzeziński, B.; Zundel, G.J. Mol. Struct. 1981,72, 9.
Latajka, Z., to be published.
Majerz, I.; Malarski, Z.; Lis, T.J. Cryst. Spectr. Res. 1989b,19, 349.
Majerz, I.; Malarski, Z.; Sawka-Dobrowolska, W.J. Mol. Struct. 1989,273, 161.
Bondi, A.J. Phys. Chem. 1964,68, 441.
Brzeziński, B.; Brycki, B.; Zundel, G.; Keil, T.J. Phys. Chem. 1991,95, 9598.
Brzeziński, B.; Grech, E.; Malarski, Z.; Sawka-Dobrowolska, W.; Sobczyk, L.1995,J. Mol. Struct., in press.
Majerz, I.; Malarski, Z.; Lis, T.1989,J. Mol. Struct. 231, 161.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Majerz, I., Malarski, Z. & Sawka-Dobrowolska, W. Structure and IR spectroscopic properties of the anhydrous 4-N,N-dimethylaminopyridinium pentachlorophenolate. J Chem Crystallogr 25, 189–193 (1995). https://doi.org/10.1007/BF01666105
Received:
Accepted:
Issue Date:
DOI: https://doi.org/10.1007/BF01666105