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3-乙基亚磺酰基-5-氟-2-(4-碘苯基)-1-苯并呋喃

3-Ethyl-sulfinyl-5-fluoro-2-(4-iodo-phen-yl)-1-benzofuran.

作者信息

Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 30;66(Pt 7):o1862. doi: 10.1107/S1600536810024736.

DOI:10.1107/S1600536810024736
PMID:21588059
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006759/
Abstract

In the title compound, C(16)H(12)FIO(2)S, the 4-iodo-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 11.41 (7)°. The crystal structure is stabilized by an inter-molecular π-π inter-action between the benzene and 4-iodo-phenyl rings [centroid-centroid distance = 3.757 (3) Å]. The crystal structure also exhibits a weak inter-molecular C-H⋯O hydrogen bond and a short I⋯O [3.2575 (16) Å] contact.

摘要

在标题化合物C₁₆H₁₂FIO₂S中，4-碘苯环略微偏离苯并呋喃平面，二面角为11.41 (7)°。晶体结构通过苯环与4-碘苯环之间的分子间π-π相互作用得以稳定[质心-质心距离 = 3.757 (3) Å]。晶体结构还呈现出一个弱的分子间C-H⋯O氢键和一个短的I⋯O [3.2575 (16) Å]接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a99/3006759/0a942df1a945/e-66-o1862-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a99/3006759/0c1f6e43cc75/e-66-o1862-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a99/3006759/0a942df1a945/e-66-o1862-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a99/3006759/0c1f6e43cc75/e-66-o1862-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7a99/3006759/0a942df1a945/e-66-o1862-fig2.jpg

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