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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 (...

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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:
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
Descripción
Sumario: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.