Crystal structure of 5-amino-1H-1,2,3-triazole-4-carboxamide
- 1 January 1974
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 15,p. 1849-1852
- https://doi.org/10.1039/p29740001849
Abstract
The structure of the title compound has been established by X-ray crystallography from diffractometer data. Crystals are monoclinic, space group P21/c, cell dimensions a= 4·796(5), b= 5·049(5), c= 21·290(10)Å, β= 91·43(20)°, Z= 4. The structure was solved by direct methods and refined by least-squares calculations to R 0·053 for 971 independent reflexions. The ring hydrogen is linked to nitrogen N(1), which is in agreement with the short N(2)–N(3) 1·295 Å bond length and with the network of hydrogen bonds formed between the molecules. Analysis of the hydrogen bonding helped to elucidate the observed i.r. spectra.Keywords
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