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Crystal structures of anhydro-bases of 1- and 2-(ethoxycarbonylmethylo)-4-hydroxycinnolinium hydroxides
Authors:Marek L G?ówka  Iwona Iwanicka  Andrzej Stańczak
Institution:(1) Institute of General and Ecological Chemistry, Technical University of Lstrokódzacute, 90-924 Lstrokódzacute, Poland;(2) Department of Pharmaceutical Chemistry and Analysis of Drugs, Medical Academy, 90-145 Lstrokódzacute, Poland
Abstract:C12H12N2O3,M r=232.24. (1): C2/c,Z=8,a=14.658(1),b=4.9375(4),c=31.859(4) Å, beta=91.710(6)°. (2): P21/c,Z=4,a=11.422(2),b=4.8864(2),c=21.176(3)Å, beta=103.29(3)°. The study confirms significant contribution of quinoid diazine ring form in anhydrobase of 1-substituted 4-hydroxycinnolinium hydroxides. The phenomenon corresponds with a negative net charge at formerly positively charged N(1) atom, with fewer hydrogen contacts of less negatively charged O(4) and with increased stacking in 1-substituted derivative, in comparison with 2-substituted structure.
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