Abstract
In the title compound, C21H21FO3S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzofuran ring system and the fluorophenyl ring is 87.61 (3)°. In the crystal, molecules related by inversion are linked into dimers via pairs of C—H⋯π interactions. These dimers are further linked by π–π interactions between the furan rings of neighbouring molecules [centroid–centroid distance = 3.407 (2) Å and between the 2-fluorophenyl rings of neighbouring molecules [centroid–centroid distance = 3.742 (2) Å], resulting in a three-dimensional supramolecular network.
Highlights
In the title compound, C21H21FO3S, the cyclohexyl ring adopts a chair conformation
As a part of our ongoing study of 5-cyclohexyl-2-methyl-1-benzofuran derivatives containing 4-methylphenylsulfonyl (Choi et al, 2012) and 2-bromophenylsulfonyl (Choi et al, 2014) substituents in the 3-position, we report here on the crystal structure of the title compound
R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger
Summary
R factor = 0.040; wR factor = 0.109; data-to-parameter ratio = 18.7. C21H21FO3S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzofuran ring system and the fluorophenyl ring is 87.61 (3). Molecules related by inversion are linked into dimers via pairs of C—H interactions. These dimers are further linked by – interactions between the furan rings of neighbouring molecules [centroid–centroid distance = 3.407 (2) Å and between the 2-fluorophenyl rings of neighbouring molecules [centroid–centroid distance =. 3.742 (2) Å], resulting in a three-dimensional supramolecular network
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