Synthesis, crystal structure and Hirshfeld surface analysis of (4-methyl­phen­yl)[1-(penta­fluoro­phen­yl)-5-(tri­fluoro­meth­yl)-1H-1,2,3-triazol-4-yl]methanone

The title compound, C(17)H(7)F(8)N(3)O, was obtained via the reaction of 1-azido-2,3,4,5,6-penta­fluoro­benzene with 4,4,4-tri­fluoro-1-(p-tol­yl)butane-1,3-dione using tri­ethyl­amine as a base catalyst and solvent. The dihedral angles between the penta­fluoro­phenyl (A), triazole (B) and p-tolyl (...

Descripción completa

Detalles Bibliográficos
Autores principales: Pokhodylo, Nazariy T., Slyvka, Yurii, Goreshnik, Evgeny, Lytvyn, Roman
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587975/
https://www.ncbi.nlm.nih.gov/pubmed/34868637
http://dx.doi.org/10.1107/S2056989021010070
_version_ 1784598315586813952
author Pokhodylo, Nazariy T.
Slyvka, Yurii
Goreshnik, Evgeny
Lytvyn, Roman
author_facet Pokhodylo, Nazariy T.
Slyvka, Yurii
Goreshnik, Evgeny
Lytvyn, Roman
author_sort Pokhodylo, Nazariy T.
collection PubMed
description The title compound, C(17)H(7)F(8)N(3)O, was obtained via the reaction of 1-azido-2,3,4,5,6-penta­fluoro­benzene with 4,4,4-tri­fluoro-1-(p-tol­yl)butane-1,3-dione using tri­ethyl­amine as a base catalyst and solvent. The dihedral angles between the penta­fluoro­phenyl (A), triazole (B) and p-tolyl (C) rings are A/B = 62.3 (2), B/C = 43.9 (3) and A/C = 19.1 (3)°. In the crystal, the mol­ecules are linked by C—H⋯F and C—H⋯O hydrogen bonds as well as by aromatic π–π stacking inter­actions into a three-dimensional network. To further analyse the inter­molecular inter­actions, a Hirshfeld surface analysis was performed.
format Online
Article
Text
id pubmed-8587975
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-85879752021-12-02 Synthesis, crystal structure and Hirshfeld surface analysis of (4-methyl­phen­yl)[1-(penta­fluoro­phen­yl)-5-(tri­fluoro­meth­yl)-1H-1,2,3-triazol-4-yl]methanone Pokhodylo, Nazariy T. Slyvka, Yurii Goreshnik, Evgeny Lytvyn, Roman Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(17)H(7)F(8)N(3)O, was obtained via the reaction of 1-azido-2,3,4,5,6-penta­fluoro­benzene with 4,4,4-tri­fluoro-1-(p-tol­yl)butane-1,3-dione using tri­ethyl­amine as a base catalyst and solvent. The dihedral angles between the penta­fluoro­phenyl (A), triazole (B) and p-tolyl (C) rings are A/B = 62.3 (2), B/C = 43.9 (3) and A/C = 19.1 (3)°. In the crystal, the mol­ecules are linked by C—H⋯F and C—H⋯O hydrogen bonds as well as by aromatic π–π stacking inter­actions into a three-dimensional network. To further analyse the inter­molecular inter­actions, a Hirshfeld surface analysis was performed. International Union of Crystallography 2021-10-05 /pmc/articles/PMC8587975/ /pubmed/34868637 http://dx.doi.org/10.1107/S2056989021010070 Text en © Pokhodylo et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Pokhodylo, Nazariy T.
Slyvka, Yurii
Goreshnik, Evgeny
Lytvyn, Roman
Synthesis, crystal structure and Hirshfeld surface analysis of (4-methyl­phen­yl)[1-(penta­fluoro­phen­yl)-5-(tri­fluoro­meth­yl)-1H-1,2,3-triazol-4-yl]methanone
title Synthesis, crystal structure and Hirshfeld surface analysis of (4-methyl­phen­yl)[1-(penta­fluoro­phen­yl)-5-(tri­fluoro­meth­yl)-1H-1,2,3-triazol-4-yl]methanone
title_full Synthesis, crystal structure and Hirshfeld surface analysis of (4-methyl­phen­yl)[1-(penta­fluoro­phen­yl)-5-(tri­fluoro­meth­yl)-1H-1,2,3-triazol-4-yl]methanone
title_fullStr Synthesis, crystal structure and Hirshfeld surface analysis of (4-methyl­phen­yl)[1-(penta­fluoro­phen­yl)-5-(tri­fluoro­meth­yl)-1H-1,2,3-triazol-4-yl]methanone
title_full_unstemmed Synthesis, crystal structure and Hirshfeld surface analysis of (4-methyl­phen­yl)[1-(penta­fluoro­phen­yl)-5-(tri­fluoro­meth­yl)-1H-1,2,3-triazol-4-yl]methanone
title_short Synthesis, crystal structure and Hirshfeld surface analysis of (4-methyl­phen­yl)[1-(penta­fluoro­phen­yl)-5-(tri­fluoro­meth­yl)-1H-1,2,3-triazol-4-yl]methanone
title_sort synthesis, crystal structure and hirshfeld surface analysis of (4-methyl­phen­yl)[1-(penta­fluoro­phen­yl)-5-(tri­fluoro­meth­yl)-1h-1,2,3-triazol-4-yl]methanone
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587975/
https://www.ncbi.nlm.nih.gov/pubmed/34868637
http://dx.doi.org/10.1107/S2056989021010070
work_keys_str_mv AT pokhodylonazariyt synthesiscrystalstructureandhirshfeldsurfaceanalysisof4methylphenyl1pentafluorophenyl5trifluoromethyl1h123triazol4ylmethanone
AT slyvkayurii synthesiscrystalstructureandhirshfeldsurfaceanalysisof4methylphenyl1pentafluorophenyl5trifluoromethyl1h123triazol4ylmethanone
AT goreshnikevgeny synthesiscrystalstructureandhirshfeldsurfaceanalysisof4methylphenyl1pentafluorophenyl5trifluoromethyl1h123triazol4ylmethanone
AT lytvynroman synthesiscrystalstructureandhirshfeldsurfaceanalysisof4methylphenyl1pentafluorophenyl5trifluoromethyl1h123triazol4ylmethanone

Ejemplares similares