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

ABSTRACT: 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.

SUBMITTER: Xiao J 

PROVIDER: S-EPMC2959515 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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

Xiao Jie J   Wang Wen Xiang WX   Zhao Hong H  

Acta crystallographica. Section E, Structure reports online 20081009 Pt 11

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. ...[more]

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