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Abstract <p>A method for the preparation of polyfluorinated diaryldisulfanes using 65% nitric acid as an oxidizing agent was achieved. Crystals of S<sub>2</sub>(Ar<sup>f</sup>)<sub>2</sub> [Ar<sup>f</sup> = 2,3,5,6-tetrafluorophenyl, 4-chloro-2,3,5,6-tetrafluorophenyl, 2,3,5-trifluoro-3,6-bis(trifluoromethyl)phenyl] were produced and characterized by X-ray diffraction (XRD). It turned out that, in the case of Ar<sup>f</sup> = 2,3,5-trifluoro-4,6-bis(trifluoromethyl)phenyl, the resulting S<sub>2</sub>(Ar<sup>f</sup>)<sub>2</sub> was accompanied by S(Ar<sup>f</sup>)<sub>2</sub>, whose structure was also determined by X-ray diffraction. Noncovalent interactions play a very important role in the structures of such polyfluorinated compounds. Their geometric analysis was carried out, and in the case of S<sub>2</sub>(Ar<sup>f</sup>)<sub>2</sub> (Ar<sup>f</sup> = 2,3,5,6-tetrafluorophenyl, 4-chloro-2,3,5,6-tetrafluorophenyl), the energy of the Cl···S interactions was estimated using quantum chemical calculations.</p>

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Noncovalent Interactions in the Crystal Structures of a Series of Polyfluorinated Diaryldisulfanes S2(Arf)2

  • 期刊论文

  • 发表日期：

    2026年3月14日

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  • Aleksandr M. Maksimov,
  • Matvei K. Shurikov,
  • Alexander S. Novikov,
  • Maksim N. Sokolov,
  • Pavel S. Postnikov,
  • Pavel A. Abramov

摘要

Abstract

A method for the preparation of polyfluorinated diaryldisulfanes using 65% nitric acid as an oxidizing agent was achieved. Crystals of S2(Arf)2 [Arf = 2,3,5,6-tetrafluorophenyl, 4-chloro-2,3,5,6-tetrafluorophenyl, 2,3,5-trifluoro-3,6-bis(trifluoromethyl)phenyl] were produced and characterized by X-ray diffraction (XRD). It turned out that, in the case of Arf = 2,3,5-trifluoro-4,6-bis(trifluoromethyl)phenyl, the resulting S2(Arf)2 was accompanied by S(Arf)2, whose structure was also determined by X-ray diffraction. Noncovalent interactions play a very important role in the structures of such polyfluorinated compounds. Their geometric analysis was carried out, and in the case of S2(Arf)2 (Arf = 2,3,5,6-tetrafluorophenyl, 4-chloro-2,3,5,6-tetrafluorophenyl), the energy of the Cl···S interactions was estimated using quantum chemical calculations.