Crystal structure of 2,5-dimethyl-3-(2-methylphenylsulfonyl)-1-benzofuran

Abstract

The title compound, C17H16O3S, crystallized with two independent molecules (A and B) in the asymmetric unit. The dihedral angle between the benzofuran ring system [r.m.s. deviation of 0.013 (1) for A and 0.009 (1) Å for B] and the 2-methylphenyl ring is 83.88 (5) for A and 86.94 (5)° for B. In the crystal, the B molecules are linked into a chain along the b-axis direction by C—H...O hydrogen bonds. The A molecules are connected on either side of this chain by further C—H...O hydrogen bonds. These chains are linked via C—H...π interactions, forming sheets parallel to (100). There are also very weak π–π interactions present [centroid–centroid distance = 3.925 (11) Å] involvingthe 2-methylphenyl rings of neighbouring A and B molecules.

Keywords

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