Ml. Glowka et al., CRYSTAL-STRUCTURES OF ANHYDRO-BASES OF 1 AND 2-(ETHOXYCARBONYLMETHYLO)-4-HYDROXYCINNOLINIUM HYDROXIDES, Journal of chemical crystallography, 24(6), 1994, pp. 397-400
C12H12N2O3, M(r) = 232.24. (1): C2/c, Z = 8, a = 14.658(1), b = 4.9375
(4), c = 31.859(4) angstrom, beta = 98.710(6)-degrees. (2): P2(1)/c, Z
= 4, a = 11.422(2), b = 4.8864(2), c = 21.176(3) angstrom, beta = 103
.29(3)-degrees. The study confirms significant contribution of quinoid
diazine ring form in anhydrobase of 1-substituted 4-hydroxycinnoliniu
m hydroxides. The phenomenon corresponds with a negative net charge at
formerly positively charged N(1) atom, with fewer hydrogen contacts o
f less negatively charged O(4) and with increased stacking in 1-substi
tuted derivative, in comparison with 2-substituted structure.