Crystal structure of bis(1-benzyl-1H-1,2,4-triazole) perchloric acid monosolvate

Abstract

The title compound, 2C9H9N3·HClO4, was prepared by reaction of 1-benzyl-1H-1,2,4-triazole and HClO4 in ethanol at room temperature. The asymmetric unit consists of two molecules of 1-benzyl-1H-1,2,4-triazole and one of HClO4 molecule. The benzene and triazole rings make dihedral angles of 85.45 (8) and 84.76 (8)° in the two molecules. The H-atom position of the perchloric acid molecule is split over two O atoms (real peaks on difference map), with site-occupation factors of 0.5. These H atoms form two classical hydrogen bonds [2.546 (5) and 2.620 (4) Å] with the same N atoms in both molecules. Five intermolecular non-classical C—H...O interactions, with C...O distances in the range 3.147 (5)–3.483 (5) Å, are found in the crystal structure.

Keywords

• crystal structure
• 1H-1,2,4-triazole
• perchloric acid
• antiviral activity