Crystal structure of nicotinic acid•3,5-dinitrobenzoic acid organic adduct

The title compound nicotinic acid 3,5-dinitrobenzoic acid (NDNT) has been obtained by the reaction of nicotinic acid with 3,5-dinitrobenzoic acid in deionic water at room temperature. The crystal is of monoclinic, space group P2(1)/n with a = 14.053(6), b = 5.046(2), c = 20.105(8) Angstrom, beta = 103.573(8)degrees, C13H9N3O8, M-r= 335.23, Z=4, V= 1385.8(10) Angstrom(3), D-c = 1.607 g/cm(3), mu(MoKalpha) = 0.137 mm(-1), F(000) = 688, R = 0.0435 and wR = 0.0993 for 1239 observed reflections (I > 2sigma(I)). In the crystals, the asymmetric unit contains one nicotinic acid (C6H5NO2) and one 3,5-dinitrobenzoic acid (C7H4N2O6). molecules which are linked by some hydrogen bonds to form a twenty-membered hydrogen-bonded ring and an extended linear structure.