HYDROGEN-BONDS IN 4-DIHYDROXYMETHYLPYRIDINIUM 2,6-DICHLORO-4-NITROPHENOLATE

The ionic adduct of 2,6-dichloro-3-nitrophenol with 4-formylpyridine ( which transforms into 4-dihydroxymethylpyridine), crystallizes in the space group P2(1)/c with a = 12.264(2), b = 6.730(1), c = 16.731(3) An gstrom, beta = 99.46(3)degrees and Z = 4. Relatively long N+-H...O- hy drogen bonds (R-N... = 2.683(3) Angstrom are formed with strongly asym metric location of the H-atom. This is well reflected both in IR and U V-VIS spectra. One of the gem diol OH group is attached to the phenola te oxygen atom and the second is engaged in the formation of infinite polyanionic chains via O-H...O hydrogen bonds between OH groups. (C) 1 997 Elsevier Science B.V.