1-{(Z)-1-[3-(4-Bromo­phen­oxy)prop­oxy]-1-(2,4-difluoro­phen­yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate

In the title mol­ecular 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-bromo­phenyl and 2,4-difluoro­phenyl rings, respectively, and the mol­ecule adopts a Z c...

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Detalles Bibliográficos
Autores principales: Shen, Fei, Guo, Song, Luan, Yuan-yuan, Wang, Kai, Hu, Yong-hong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393281/
https://www.ncbi.nlm.nih.gov/pubmed/22807838
http://dx.doi.org/10.1107/S1600536812024154
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author Shen, Fei
Guo, Song
Luan, Yuan-yuan
Wang, Kai
Hu, Yong-hong
author_facet Shen, Fei
Guo, Song
Luan, Yuan-yuan
Wang, Kai
Hu, Yong-hong
author_sort Shen, Fei
collection PubMed
description In the title mol­ecular 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-bromo­phenyl and 2,4-difluoro­phenyl rings, respectively, and the mol­ecule 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.
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spelling pubmed-33932812012-07-17 1-{(Z)-1-[3-(4-Bromo­phen­oxy)prop­oxy]-1-(2,4-difluoro­phen­yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate Shen, Fei Guo, Song Luan, Yuan-yuan Wang, Kai Hu, Yong-hong Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecular 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-bromo­phenyl and 2,4-difluoro­phenyl rings, respectively, and the mol­ecule 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. International Union of Crystallography 2012-06-13 /pmc/articles/PMC3393281/ /pubmed/22807838 http://dx.doi.org/10.1107/S1600536812024154 Text en © Shen et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Shen, Fei
Guo, Song
Luan, Yuan-yuan
Wang, Kai
Hu, Yong-hong
1-{(Z)-1-[3-(4-Bromo­phen­oxy)prop­oxy]-1-(2,4-difluoro­phen­yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate
title 1-{(Z)-1-[3-(4-Bromo­phen­oxy)prop­oxy]-1-(2,4-difluoro­phen­yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate
title_full 1-{(Z)-1-[3-(4-Bromo­phen­oxy)prop­oxy]-1-(2,4-difluoro­phen­yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate
title_fullStr 1-{(Z)-1-[3-(4-Bromo­phen­oxy)prop­oxy]-1-(2,4-difluoro­phen­yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate
title_full_unstemmed 1-{(Z)-1-[3-(4-Bromo­phen­oxy)prop­oxy]-1-(2,4-difluoro­phen­yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate
title_short 1-{(Z)-1-[3-(4-Bromo­phen­oxy)prop­oxy]-1-(2,4-difluoro­phen­yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate
title_sort 1-{(z)-1-[3-(4-bromo­phen­oxy)prop­oxy]-1-(2,4-difluoro­phen­yl)prop-1-en-2-yl}-1h-1,2,4-triazol-4-ium nitrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393281/
https://www.ncbi.nlm.nih.gov/pubmed/22807838
http://dx.doi.org/10.1107/S1600536812024154
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