L. Jerzykiewicz, T. Lis, Z. Malarski
Oct 1, 1993
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0
Influential Citations
3
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Journal
Journal of Crystallographic and Spectroscopic Research
Abstract
The structure of the nondeuterated and deuterated complexes of 3,5-dimethylpyridine with 3,5-dinitrobenzoic acid in a stoichiometric ratio 1∶2 have been determined by X-ray diffraction methods. The crystals of the nondeuterated complex are triclinic, space groupP¯1 witha=9.409(9),b=10.813(7),c=12.310(7)Å,a=95.75(5),β=108.17(7), γ=91.46(7)° andZ=2. The crystals of the deuterated complex are monoclinic, space groupP21/c, witha=11.680(6),b=8.451(4),c=24.382(9)Å,β=102.94(4)° andZ=4. Both structures have been solved by direct methods and refined toR=0.035 for 2235 and toR=0.044 for 1938 independent reflections for nondeuterated and deuterated crystal, respectively. The structures consist of 3,5-dimethylpyridinium cations and hydrogen (or deuterium) bis(3,5-dinitrobenzoate) anions. The N(1)+-H(N1)⋯O(1)−, O(7)-H(7)⋯O(2), N(1)+-D(1)⋯O(l)− and O(7)-D(7)⋯O(2) bond lengths are 2.644(4), 2.499(3), 2.739(5), and 2.526(5)Å, respectively. The IR spectra of both complexes within the proton (or deuteron) absorption range have been studied.