This article is cited in 2 papers

Communications

Crystal structure and conformational diversity of fluorinated alkyl tosylates

D. E. Arkhipov^a, A. V. Lyubeshkin^b, A. D. Volodin^a, A. A. Korlyukov<sup>a

a</sup> A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Moscow, Russian Federation
^b FSRC “Crystallography and Photonics”, Russian Academy of Sciences, Moscow, Russian Federation

Abstract: Crystal structures of fluorinated alkyl tosylates TsOCH₂CF₂CHFCF₃ and TsOCH₂(CF₂)₃CHF₂ have been characterized by X-ray diffraction and quantum chemical calculations. The calculations have revealed the stabilization of head-to-tail conformation for TsOCH₂CHFCF₂CF₃ due to intramolecular F・・・p and C–H・・・π interactions. Alternatively, for TsOCH₂(CF₂)₃CHF₂ these interactions cannot be responsible for the stabilization of head-to-tail conformation, thus the linear conformation is proved to be more stable.

Keywords: organofluorine compounds, tosylate derivatives, X-ray studies, quantum chemical calculations, intra- and intermolecular interactions..

Language: English

DOI: 10.1016/j.mencom.2020.01.034

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