4-Amino-3,5-bis-(2-Pyridyl)-4H-1,2,4-triazole-benzene-1,2,3-tricarboxylic acid-water (1/1/2)

Abstract

Cocrystallization of 4-amino-3,5-bis(2-Pyridyl)-1,2,4-triazole (2-bpt) with hemimellitic acid (benzene-1,2,3-tricarboxylic acid) dihydrate (H 3HMA·2H2O) produces the supramolecular title compound, C12H10N6·C9H 6O6·2H2O. intermolecular N - H⋯N hydrogen bonds are observed between the terminal pyridyl and amino groups of the 2-bpt molecule and the dihedral angles between the central ring and the pendant pyridine rings are 3.4 (7) and 13.8 (7)°. In the structure, homosynthons of graph set R 2 2(8) are observed to form centrosymmetric H 3HMA dimers, which are extended into a two-dimensional supramolecular layer via intermolecular O - H⋯N and C - H⋯O hydrogen bonds and π-π stacking interactions [centroid-centroid distance = 3.541 (3) Å]. In addition, interlayer uncoordinated water molecules connect the layers through O - H⋯O hydrogen bonds, generating a three-dimensional network. © 2010.