MOLECULAR CO-CRYSTALS OF CARBOXYLIC-ACIDS .16. 1 1-ADDUCT OF 3-NITROBENZOIC ACID WITH 3-AMINO-1H-1,2,4-TRIAZOLE/

The structure of the 1:1 molecular adduct of 3-nitrobenzoic acid with the herbicide amitrole (3-amino-1 H-1,2,4-triazole), 3-amino-1H, 4H(+) -1,2,4-triazolium 3-nitrobenzoate, C2H5N4+.C7H4NO4-, [(3-AT)(3-NBA)], has been determined by X-ray diffraction. There are two independent bu t similar cyclic hydrogen-bonded hetero-dimers in the crystallographic asymmetric unit, with hydrogen bonds involving the carboxyl O atoms o f the acid and both a heterocyclic N atom and an amine N atom of an am itrole [O...N 2.677-2.951 (3) Angstrom]. The dimers also form into a r ibbon-chain polymer structure.