Crystal structure of 5-chloro-3-(4-fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran

Acta Crystallographica Section E

Hong Dae Choi¹  Uk Lee² 

[1] 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;

关键词: crystal structure;    benzofuran;    4-fluorophenyl;    π–π interactions;    C—S...π and C—H...O interactions;   

DOI  :  10.1107/S1600536814019229

来源: DOAJ

【 摘 要 】

In the title compound, C17H14ClFO2S, the dihedral angle between the mean planes of the benzofuran ring system [maximum deviation = 0.037 (2) Å] and the 4-fluorobenzene ring is 71.92 (5)°. An intramolecular C—H...O hydrogen bond occurs. In the crystal, molecules are linked by π–π stacking between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.7103 (10) Å]. These molecules are further linked by C—S...π [S...centroid = 3.570 (1) Å] and C—H...O interactions, resulting in a three-dimensional supramolecular network.

【 授权许可】

Unknown