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5-氟-3-甲基亚磺酰基-2-苯基-1-苯并呋喃

5-Fluoro-3-methyl-sulfinyl-2-phenyl-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. 2009 Jul 22;65(Pt 8):o1957. doi: 10.1107/S1600536809028189.

DOI:10.1107/S1600536809028189
PMID:21583635
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977333/
Abstract

In the title compound, C(15)H(11)FO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The 2-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 32.1 (2)°. The crystal structure is stabilized by aromatic π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.690 (5) Å]. In addition, the crystal structure exhibits inter-molecular C-H⋯O and C-H⋯F inter-actions.

摘要

在标题化合物C₁₅H₁₁FO₂S中,甲基亚磺酰基取代基的O原子和甲基位于苯并呋喃片段平面的两侧。2-苯基环旋转出苯并呋喃平面,形成32.1(2)°的二面角。晶体结构通过相邻分子苯环之间的芳香π-π相互作用得以稳定[质心-质心距离 = 3.690(5)Å]。此外,晶体结构还存在分子间C-H⋯O和C-H⋯F相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d41/2977333/7003a3c30433/e-65-o1957-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d41/2977333/09d910468427/e-65-o1957-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d41/2977333/7003a3c30433/e-65-o1957-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d41/2977333/09d910468427/e-65-o1957-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3d41/2977333/7003a3c30433/e-65-o1957-fig2.jpg

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本文引用的文献

1
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
2
Inhibition of fibril formation in beta-amyloid peptide by a novel series of benzofurans.新型苯并呋喃系列对β-淀粉样肽原纤维形成的抑制作用。
Biochem J. 1999 May 15;340 ( Pt 1)(Pt 1):283-9.