Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methylphenyl)sulfinyl]-1-benzofuran

Abstract

In the title compound, C18H17BrO2S, the dihedral angle between the mean planes of the benzofuran [r.m.s. deviation = 0.025 (2) Å] and the 2-methylbenzene rings is 87.87 (5)°. In the crystal, molecules are linked into supramolecular layers parallel to (0-11) by C—H...O hydrogen bonds and Br...Br [3.4521 (5) Å] contacts. These are connected into a three-dimensional architecture via C—H...π interactions, which link inversion-related molecules into dimers, and π–π interactions between the benzene and furan rings [centroid–centroid distance = 3.573 (2) Å].

Keywords

• crystal structure
• benzofuran
• π–π interactions
• C—H...π interactions
• C—H...O hydrogen bonds
• Br...Br contacts