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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 ?-? 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.

SUBMITTER: Jiang XJ 

PROVIDER: S-EPMC2979117 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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

Jiang Xiu-Juan XJ  

Acta crystallographica. Section E, Structure reports online 20100414 Pt 5

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 gr  ...[more]

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