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1,3-双(2,3,5,6-四氟-4-碘苯氧基)-2,2-双[(2,3,5,6-四氟-4-碘苯氧基)甲基]丙烷

1,3-Bis(2,3,5,6-tetra-fluoro-4-iodo-phen-oxy)-2,2-bis-[(2,3,5,6-tetra-fluoro-4-iodo-phen-oxy)meth-yl]propane.

作者信息

Cavallo Gabriella, Metrangolo Pierangelo, Pilati Tullio, Resnati Giuseppe, Terraneo Giancarlo, Ursini Maurizio

机构信息

NFMLab, Department of Chemistry, Materials and Chemical Engineering, "G. Natta", Politecnico di Milano, Via Mancinelli, 7, I-20131 Milano, Italy.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 23;69(Pt 4):o579-80. doi: 10.1107/S1600536813007605. Print 2013 Apr 1.

DOI:10.1107/S1600536813007605
PMID:23634113
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3629626/
Abstract

In the crystal structure of the title compound, C29H8F16I4O4, short I⋯I and I⋯F contacts, which can be understood as halogen bonds (XBs), represent the strongest inter-molecular inter-actions, consistent with the presence of I and F atoms, and the absence of H atoms, at the periphery of the mol-ecule. In addition, π-π stacking inter-actions between tetra-fluoro-iodo-phenyl (TFIP) groups and five short F⋯F inter-actions are present.

摘要

在标题化合物C29H8F16I4O4的晶体结构中，短的I⋯I和I⋯F接触（可理解为卤键（XB））代表最强的分子间相互作用，这与分子外围存在I和F原子且不存在H原子相一致。此外，四氟碘苯基（TFIP）基团之间存在π-π堆积相互作用以及五个短的F⋯F相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f66/3629626/2d55874106e8/e-69-0o579-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f66/3629626/e66d0cd74097/e-69-0o579-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f66/3629626/2d55874106e8/e-69-0o579-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f66/3629626/e66d0cd74097/e-69-0o579-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0f66/3629626/2d55874106e8/e-69-0o579-fig2.jpg

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