Crystal structure of 2-ethyl-3-(4-fluorophenylsulfonyl)-5,7-dimethyl-1-benzofuran

Abstract

In the title compound, C18H17FO3S, the dihedral angle between the plane of the benzofuran ring [r.m.s. deviation = 0.006 (1) Å] and that of the 4-fluorophenyl ring [r.m.s. deviation = 0.004 (1) Å] is 82.45 (4)°. In the crystal, molecules are linked via three different pairs of C—H...O hydrogen bonds, forming chains along [001] and enclosing two R22(10) and one R22(12) ring motifs. The chains are further linked by π–π interactions [inter-centroid distance = 3.566 (1) Å] between the furan rings of inversion-related molecules, forming a two-dimensional network lying parallel to (100).

Keywords

• crystal structure
• benzofuran
• 4-fluorophenyl
• sulfonyl
• hydrogen bonds
• π–π interactions.