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5-Methyl-1-(3-nitro-benz-yl)-1H-1,2,3-triazole-4-carboxylic acid monohydrate. 2008

Jie Xiao, and Wen Xiang Wang, and Hong Zhao
Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

The title compound, C(11)H(10)N(4)O(4)·H(2)O, was synthesized from 1-azido-methyl-3-nitro-benzene and ethyl acetyl-acetate. 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 mol-ecules is stabilized by strong O-H⋯O hydrogen bonds involving the solvent water mol-ecules as donors and acceptors. The resulting layers are arranged into a three-dimensional framework via weak C-H⋯O inter-actions.

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