STRUCTURE OF DEBRISOQUINIUM SULFATE

3,4-Dihydro-2(1H)-isoquinolinecarboxamidinium sulfate, 2C10H14N3+.SO42-, M(r) = 448.5, monoclinic, C2/c, a = 27.214 (10), b = 6.552 (1), c = 13.241 (1) angstrom, beta = 113.35 (2)degrees, V = 2168 (1) angstrom3, Z = 4, D(x) = 1.375 g cm-3, lambda(Mo Kalpha) = 0.7107 angstrom, mu = 1.81 cm-1, F(000) = 952, room temperature, final R = 0.042 for 2446 unique reflections [1661 observed with I > 3sigma(I)]. The crystal structure consists of a hydrogen-bonded network of debrisoquinium cations and sulfate anions. The relative orientations of the two H atoms on C(4) of debrisoquin, one of which is enzymatically replaced by a hydroxyl group, is discussed.