Download citation
Download citation
link to html
The structures of the 1:1 molecular adducts of the herbicide 3-amino-1H-1,2,4-triazole (amitrole, 3-AT) with 5-nitrosalicylic acid (5-NSA), 3-amino-2H,4H+-1,2,4-triazolium nitrosalicylate, C2H5N4+.C7H4NO5-, (1), and 3,5-dinitrosalicylic acid (DNSA), 3-amino-2H,4H+-1,2,4-triazolium 3,5-dinitrosalicylate, C2H5N4+.C7H3N2O7-, (2), have been determined by X-ray diffraction and refined to residuals R = 0.035 and 0.037 for 1355 and 826 observed reflections, respectively. In both adducts, the acid protonates the hetero N atom of the amitrole ring. For (1), both molecules are involved in a network structure in which all available proton-donor and acceptor atoms, including the nitro O atoms, participate in hydrogen bonding. For (2), the two-dimensional sheet structure involves those atoms comprising the proximal sites of the interacting molecules, with limited interaction through the nitro O atoms.

Supporting information


Crystallographic Information File (CIF)
Contains datablocks text, as1156a, as1156b

CCDC references: 126173; 126174

Follow Acta Cryst. C
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds