Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2012 Jul 1;68(Pt 7):o2010.
doi: 10.1107/S1600536812024154. Epub 2012 Jun 13.

1-{(Z)-1-[3-(4-Bromo-phen-oxy)prop-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate

1-{(Z)-1-[3-(4-Bromo-phen-oxy)prop-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate

Fei Shen et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title mol-ecular salt, C(20)H(19)BrF(2)N(3)O(2) (+)·NO(3) (-), the N atom at position 4 of the heterocyclic ring is protonated. The triazole ring makes dihedral angles of 96.6 (4) and 54.4 (3)° with the 4-bromo-phenyl and 2,4-difluoro-phenyl rings, respectively, and the mol-ecule adopts a Z conformation about the C=C double bond. In the crystal, cations and anions are linked by N-H⋯O and C-H⋯O hydrogen bonds.

PubMed Disclaimer

Figures

Fig. 1.
Fig. 1.
The molecular structure of the title molecule, with displacement ellipsoids drawn at 30% probability levels.
Fig. 2.
Fig. 2.
The packing diagram of the title compound. Hydron bonds are shown as dashed lines.

Similar articles

Cited by

References

    1. Enraf–Nonius (1994). CAD-4 Software Enraf–Nonius, Delft, The Netherlands.
    1. Fromtling, R. & Castaner, J. (1996). Drugs Fut. 21, 160–166.
    1. Harms, K. & Wocadlo, S. (1995). XCAD4 University of Marburg, Germany.
    1. Jeu, L., Piacenti, F. J., Lyakhovetskiy, A. G. & Fung, H. B. (2003). Clin. Ther. 25, 1321–1381. - PubMed
    1. Ludwig, Z. & Kurt, T. (1985). US Patent Appl. US4554356.