Synthesis, crystal structure and Hirshfeld surface analysis of (4-methyl-phen-yl)[1-(penta-fluoro-phen-yl)-5-(tri-fluoro-meth-yl)-1 H -1,2,3-triazol-4-yl]methanone.

Acta crystallographica. Section E, Crystallographic communications(2021)

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摘要
The title compound, CHFNO, was obtained the reaction of 1-azido-2,3,4,5,6-penta-fluoro-benzene with 4,4,4-tri-fluoro-1-(-tol-yl)butane-1,3-dione using tri-ethyl-amine as a base catalyst and solvent. The dihedral angles between the penta-fluoro-phenyl (), triazole () and -tolyl () rings are / = 62.3 (2), / = 43.9 (3) and / = 19.1 (3)°. In the crystal, the mol-ecules are linked by C-H⋯F and C-H⋯O hydrogen bonds as well as by aromatic π-π stacking inter-actions into a three-dimensional network. To further analyse the inter-molecular inter-actions, a Hirshfeld surface analysis was performed.
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关键词
1,2,3-triazole,Hirshfeld surface analysis,crystal structure
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