Crystal structure of 5-iodo-2-methyl-3-[(4-methylphenyl)sulfonyl]-1-benzofuran

Abstract

In the title compound, C16H13IO3S, the dihedral angle between the planes of the benzofuran ring system [r.m.s. deviation = 0.015 (2) Å] and the 4-methylphenyl ring is 70.35 (5)°. In the crystal, molecules are linked by pairs of π–π interactions between the furan and benzene rings, with centroid–centroid distances of 3.667 (3) and 3.701 (3) Å. The molecules stack along the a-axis direction. In addition, pairs of C—H...O hydrogen bonds between inversion-related dimers [which generate R22(10) loops] and a short I...I [3.7534 (3) Å] contact are observed.

Keywords

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