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5-Amino-3-carb­oxy-1H-1,2,4-triazol-4-ium nitrate monohydrate

By Fadila Berrah, Rafika Bouchene, Sofiane Bouacida and Thierry Roisnel


The two-dimensional crystal packing of the title compound, C3H5N4O2 +·NO2 −·H2O, results from the stacking of well separated layers (i.e. with nothing between the layers) parallel to the (-113) plane in which adjacent cations adopt a head-to-head arrangement such that two –COOH groups are linked via two water mol­ecules (the water O atom behaves simultaneously as donor and acceptor of hydrogen bonds) and two –NH2 groups are linked through two nitrate anions. This arrangement leads to alternating hydro­philic and hydro­phobic zones in which O—H⋯O and N—H⋯O hydrogen bonds, respectively, are observed

Topics: Organic Papers
Publisher: International Union of Crystallography
OAI identifier: oai:pubmedcentral.nih.gov:3344063
Provided by: PubMed Central
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    4. Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) xy z U iso*/Ueq
    5. (2011). The asymmetric unit of the title compound contains a cation, an anion and a water molecule linked by O—H···O and N —H···O hydrogen bonds (Fig.1.) The geometry of the triazole planar ring is similar to that seen in related compounds

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