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

Hong Dae Choi,Uk Lee

doi:10.1107/s1600536814019023

Abstract

In the title compound, C18H17FO2S, the dihedral angle between the planes of the benzofuran ring system (r.m.s. deviation = 0.004 Å) and the 4-fluorophenyl ring is 86.38 (6)°. The terminal C atom of the ethyl substituent is displaced by 1.444 (3) Å from the benzofuran ring system to the same side of the molecule as the 4-fluorophenyl ring. In the crystal, molecules are linked via pairs of C—H⋯π interactions into inversion-related dimers. These dimers are further linked by π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.715 (3) Å] and between the furan rings of neighbouring molecules [centroid–centroid distance = 3.598 (3) Å]. The molecules are stacked along the a-axis direction. In the sulfinyl group, the S and O atoms are disordered over two sets of sites, with site-occupancy factors of 0.797 (3) and 0.213 (3).

Highlights

In the title compound, C18H17FO2S, the dihedral angle between the planes of the benzofuran ring system
The molecules are stacked along the a-axis direction
As a part of our ongoing project of 3-(4-fluorophenylsulfinyl)-5,7dimethyl-1-benzofuran derivatives containing methyl substituent in 2-position (Choi et al, 2010), we report on the crystal structure of the title compound

Summary

Introduction

C18H17FO2S, the dihedral angle between the planes of the benzofuran ring system (r.m.s. deviation = 0.004 Å) and the 4-fluorophenyl ring is 86.38 (6) . 1.444 (3) Å from the benzofuran ring system to the same side of the molecule as the 4-fluorophenyl ring. S and O atoms are disordered over two sets of sites, with siteoccupancy factors of 0.797 (3) and 0.213 (3).

Results

Conclusion