title: 4-Amino-3,5-bis-(2-pyrid-yl)-4H-1,2,4-triazole-benzene-1,2,3-tricarboxylic acid-water (1/1/2).
abstract: Cocrystallization of 4-amino-3,5-bis-(2-pyrid-yl)-1,2,4-triazole (2-bpt) with hemimellitic acid (benzene-1,2,3-tricarboxylic acid) dihydrate (H(3)HMA·2H(2)O) produces the supra-molecular title compound, C(12)H(10)N(6)·C(9)H(6)O(6)·2H(2)O. Inter-molecular 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(3)HMA dimers, which are extended into a two-dimensional supra-molecular layer via inter-molecular O-H⋯N and C-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid distance = 3.541 (3) Å]. In addition, inter-layer uncoordinated water mol-ecules connect the layers through O-H⋯O hydrogen bonds, generating a three-dimensional network.
authors.affiliation: School of Biological and Chemical Engineering, Jiaxing University, Zhejiang Jiaxing 314001, People's Republic of China.
authors.forename: Xiu-Juan
authors.initials: XJ
authors.lastname: Jiang