Unknown

Dataset Information

0

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.

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.

SUBMITTER: Shen F 

PROVIDER: S-EPMC3393281 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

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.

Shen Fei F   Guo Song S   Luan Yuan-Yuan YY   Wang Kai K   Hu Yong-Hong YH  

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

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. ...[more]

Similar Datasets

Unknown 1-{(1Z)-1-[6-(4-Chloro-phen-oxy)hex-y-l-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate.
| S-EPMC3201488 | biostudies-literature
Unknown (2,4-Difluoro-phen-yl)[1-(1H-1,2,4-triazol-1-yl)cyclo-prop-yl]methanone.
| S-EPMC3247327 | biostudies-literature
Unknown 1-{(1Z)-1-[3-(2,4-Dichloro-phen-oxy)prop-oxy]-1-(2,4-difluoro-phen-yl)prop-1-en-2-yl}-1H-1,2,4-triazole.
| S-EPMC3379359 | biostudies-literature
Unknown 1-(2,4-Difluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol.
| S-EPMC3275188 | biostudies-literature
Unknown 1-(2,4-Difluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol.
| S-EPMC3379317 | biostudies-literature
Unknown (Z)-1-(2,4-Difluoro-phen-yl)-3-(4-fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.
| S-EPMC3344134 | biostudies-literature
Unknown (Z)-3-(4-Chloro-phen-yl)-1-(2,4-difluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.
| S-EPMC3379402 | biostudies-literature
Unknown (Z)-1-(2,4-Difluoro-phen-yl)-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.
| S-EPMC2977445 | biostudies-literature
Unknown (Z)-1-(2,4-Difluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone oxime.
| S-EPMC3239095 | biostudies-literature
Unknown 2-Bromo-2-(5-bromo-1H-1,2,4-triazol-1-yl)-1-(2,4-difluoro-phen-yl)ethanone.
| S-EPMC2983960 | biostudies-literature