Acta Cryst. (2008). E64, o2085  [ doi:10.1107/S1600536808030584 ]

5-Methyl-1-(3-nitrobenzyl)-1H-1,2,3-triazole-4-carboxylic acid monohydrate

J. Xiao, W. X. Wang and H. Zhao

Abstract: The title compound, C₁₁H₁₀N₄O₄·H₂O, was synthesized from 1-azidomethyl-3-nitrobenzene and ethyl acetylacetate. Single-crystal X-ray analysis reveals that the dihedral angle between the triazole and benzene ring planes is 84.80 (2)°. The packing of the molecules is stabilized by strong O-HO hydrogen bonds involving the solvent water molecules as donors and acceptors. The resulting layers are arranged into a three-dimensional framework via weak C-HO interactions.

Online 9 October 2008

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