ISSN:
1600-5759
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0108270195010602
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