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2-乙基-3-(4-氟苯基磺酰基)-5,7-二甲基-1-苯并呋喃的晶体结构

Crystal structure of 2-ethyl-3-(4-fluoro-phenyl-sulfon-yl)-5,7-dimethyl-1-benzo-furan.

作者信息

Choi Hong Dae, Lee Uk

机构信息

Department of Chemistry, Dongeui University, San 24 Kaya-dong, Busanjin-gu, Busan 614-714, Republic of Korea.

Department of Chemistry, Pukyong National University, 599-1 Daeyeon 3-dong, Nam-gu, Busan 608-737, Republic of Korea.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 24;70(Pt 10):249-51. doi: 10.1107/S1600536814019436. eCollection 2014 Oct 1.

DOI:10.1107/S1600536814019436
PMID:25484665
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4257170/
Abstract

In the title compound, C18H17FO3S, the dihedral angle between the plane of the benzo-furan ring [r.m.s. deviation = 0.006 (1) Å] and that of the 4-fluoro-phenyl ring [r.m.s. deviation = 0.004 (1) Å] is 82.45 (4)°. In the crystal, mol-ecules are linked via three different pairs of C-H⋯O hydrogen bonds, forming chains along [001] and enclosing two R (2) 2(10) and one R (2) 2(12) ring motifs. The chains are further linked by π-π inter-actions [inter-centroid distance = 3.566 (1) Å] between the furan rings of inversion-related mol-ecules, forming a two-dimensional network lying parallel to (100).

摘要

在标题化合物C₁₈H₁₇FO₃S中,苯并呋喃环平面[r.m.s.偏差 = 0.006 (1) Å]与4-氟苯环平面[r.m.s.偏差 = 0.004 (1) Å]之间的二面角为82.45 (4)°。在晶体中,分子通过三对不同的C—H⋯O氢键相连,沿[001]方向形成链状结构,并包含两个R (2) 2(10)和一个R (2) 2(12)环单元。这些链通过反演相关分子的呋喃环之间的π-π相互作用[质心间距 = 3.566 (1) Å]进一步相连,形成一个平行于(100)的二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f847/4257170/821114e0fd11/e-70-00249-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f847/4257170/02d56a4464ac/e-70-00249-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f847/4257170/821114e0fd11/e-70-00249-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f847/4257170/02d56a4464ac/e-70-00249-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f847/4257170/821114e0fd11/e-70-00249-fig2.jpg

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本文引用的文献

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