2-(烯丙基硫代)吡啶与1,2,4,5-四氟-3,6-二碘苯之间卤键的晶体结构与 Hirshfeld 表面分析
Crystal structure and Hirshfeld surface analysis of a halogen bond between 2-(allyl-thio)-pyridine and 1,2,4,5-tetra-fluoro-3,6-di-iodo-benzene.
作者信息
Risken Robin, Schrimpf Tobias, Klotz Franziska Dorothea, Strohmann Carsten
机构信息
Inorganic Chemistry, TU Dortmund University, Otto-Hahn Str. 6, 44227 Dortmund, Germany.
出版信息
Acta Crystallogr E Crystallogr Commun. 2024 Jun 21;80(Pt 7):759-762. doi: 10.1107/S2056989024005693. eCollection 2024 Jun 1.
The crystal structure of the title 2:1 mol-ecular complex between 2-(allyl-thio)-pyridine and 1,2,4,5-tetra-fluoro-3,6-di-iodo-benzene, CFI·2CHNS, at 100 K has been determined in the monoclinic space group 2/. The most noteworthy characteristic of the complex is the halogen bond between iodine and the pyridine ring with a short N⋯I contact [2.8628 (12) Å]. The Hirshfeld surface analysis shows that the hydrogen⋯hydrogen contacts dominate the crystal packing with a contribution of 32.1%.
已在单斜晶系空间群(P2_1/c)中测定了标题化合物2-(烯丙硫基)吡啶与1,2,4,5-四氟-3,6-二碘苯形成的2:1分子复合物(CFI·2C_6H_6NS)在100 K时的晶体结构。该复合物最值得注意的特征是碘与吡啶环之间存在卤键，氮⋯碘接触距离较短[2.8628 (12) Å]。 Hirshfeld表面分析表明，氢⋯氢接触对晶体堆积的贡献最大，为32.1%。
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