4,9,12,15-Tetraoxa-3,5,8,10,14,16-hexaazatetracyclo[11.3.0.02,6.07,11]hexadeca-1(16),2,5,7,10,13-hexaen-3-ium-3-olate monohydrate

Abstract

The organic molecule in the title monohydrate, C6N6O5·H2O, presents an almost planar configuration, the greatest deviation from the least-squares plane through the atoms being 0.061 (1) Å for the O atom within the seven-membered ring. Each water H atom is bifurcated, one forming two O—H...N hydrogen bonds and the other forming O—H...N,O hydrogen bonds. The result of the hydrogen bonding is the formation of supramolecular layers with a zigzag topology that stack along [001].