4,9,12,15-Tetra-oxa-3,5,8,10,14,16-hexa-aza-tetra-cyclo-[11.3.0.0.0]hexa-deca-1(16),2,5,7,10,13-hexaen-3-ium-3-olate monohydrate

The organic mol-ecule in the title monohydrate, C(6)N(6)O(5)·H(2)O, 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 h...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2012-03, Vol.68 (Pt 3), p.o869-o869
Main Authors: Zhou, Yan-Shui, Wang, Bo-Zhou, Xu, Kang-Zhen
Format: Article
Language:English
Subjects:
Organic Papers
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Summary:The organic mol-ecule in the title monohydrate, C(6)N(6)O(5)·H(2)O, 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 supra-molecular layers with a zigzag topology that stack along [001].
ISSN:1600-5368
DOI:10.1107/S160053681200774X