Crystal structure of 5-chloro-2,7-dimethyl-3-[(4-methylphenyl)sulfonyl]-1-benzofuran

Abstract

In the title compound, C17H15ClO3S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.008 Å] and the 4-methylphenyl ring is 77.29 (4)°. In the crystal, molecules are linked by π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.847 (2) Å] and between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.743 (2) Å]. The molecules are stacked along the a-axis direction. In addition, pairs of C—H...O hydrogen bonds are observed between inversion-related dimers: these generate R22(12) loops.

Keywords

• crystal structure
• benzofuran
• 4-methylphenyl
• C—H...O hydrogen bonds
• π–π interactions