STRUCTURE AND SPECTROSCOPIC PROPERTIES OF THE 1 2 COMPLEX OF 3,5-DIMETHYLPYRIDINE WITH 3,5-DINITROBENZOIC ACID AND ITS DEUTERATED ANALOG/

The structure of the nondeuterated and deuterated complexes of 3,5-dim ethylpyridine 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 group P1BAR with a = 9. 409(9), b = 10.813(7), c = 12.310(7) angstrom, alpha = 95.75(5), beta = 108.17(7), gamma = 91.46(7)-degrees and Z = 2. The crystals of the d euterated complex are monoclinic, space group P2(1)/c, with a = 11.680 (6), b = 8.451(4), c = 24.382(9) angstrom, beta = 102.94(4)-degrees an d Z = 4. Both structures have been solved by direct methods and refine d to R = 0.035 for 2235 and to R = 0.044 for 1938 independent reflecti ons for nondeuterated and deuterated crystal, respectively. The struct ures consist of 3,5-dimethylpyridinium cations and hydrogen (or deuter ium) bis(3,5-dinitrobenzoate) anions. The N(1)+-H(N1)...O(1)-, O(7)-H( 7)...O(2), N(1)+-D(1)...O(1)- and O(7)-D(7)...O(2) bond lengths are 2. 644(4), 2.499(3), 2.739(5), and 2.526(5) angstrom, respectively. The I R spectra of both complexes within the proton (or deuteron) absorption range have been studied.