Crystal structure of 5-amino-1H-1,2,3-triazole-4-carboxamide

A. Kálmán, Kálmán Simon, Józef Schawartz, Gábor Horváth

Research output: Contribution to journalArticle

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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.

Original languageEnglish
Pages (from-to)1849-1852
Number of pages4
JournalJournal of the Chemical Society, Perkin Transactions 2
Issue number15
DOIs
Publication statusPublished - 1974

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Triazoles
Hydrogen bonds
Crystal structure
X ray crystallography
Diffractometers
Bond length
Hydrogen
Nitrogen
Crystals
Molecules

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Crystal structure of 5-amino-1H-1,2,3-triazole-4-carboxamide. / Kálmán, A.; Simon, Kálmán; Schawartz, Józef; Horváth, Gábor.

In: Journal of the Chemical Society, Perkin Transactions 2, No. 15, 1974, p. 1849-1852.

Research output: Contribution to journalArticle

Kálmán, A. ; Simon, Kálmán ; Schawartz, Józef ; Horváth, Gábor. / Crystal structure of 5-amino-1H-1,2,3-triazole-4-carboxamide. In: Journal of the Chemical Society, Perkin Transactions 2. 1974 ; No. 15. pp. 1849-1852.
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