Claramunt, Rosa M.’s team published research in New Journal of Chemistry in 25 | CAS: 63598-71-0

New Journal of Chemistry published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C2H3N3, COA of Formula: C2H3N3.

Claramunt, Rosa M. published the artcileThe structure of halogeno-1,2,4-triazoles in the solid state and in solution, COA of Formula: C2H3N3, the publication is New Journal of Chemistry (2001), 25(8), 1061-1068, database is CAplus.

The x-ray mol. structures of two halotriazoles, 3-chloro- and 3-bromo-1H-1,2,4-triazole, were determined, thus ending a controversy that made these compounds an exception to a general rule concerning their annular tautomerism. 13C and 15N NMR experiments in the solid state are complex because of the dipolar couplings with the halogens. The complex signal of the C atom bearing the halogen was analyzed and the residual 13C-X dipolar couplings determined However, since the tautomeric structures are known, the spectra can be analyzed. Solution NMR, at low temperatures (178 K) at which the tautomerism of triazoles is blocked, and using as models 1,2,4-triazole itself and its 1-Me derivative, allowed us to determine that the same tautomers, 3-halo-1H-1,2,4-triazole, are present in methanol.

New Journal of Chemistry published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C2H3N3, COA of Formula: C2H3N3.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics