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3-(4-Fluoro-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzofuran.

ABSTRACT: In the title mol-ecule, C(17)H(15)FO(2)S, the O atom and the 4-fluoro-phenyl group of the 4-fluoro-phenyl-sulfinyl substituent lie on opposite sides of the benzofuran fragment. The mean planes of the benzofuran and 4-fluoro-phenyl fragments form a dihedral angle of 86.07 (4)°. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked via inter-molecular C-H⋯π inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2979946 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-(3-Fluoro-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)FO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 86.89?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds. The crystal structure also exhibits a slipped ?-? inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.719?(2)?Å, inter-planar distance = 3.475?(2)?Å and slippage = 1.325?Å].

| S-EPMC3120630 | biostudies-literature

3-(4-Bromo-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)BrO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 87.78?(5)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, and by weak inter-molecular C-S?? [3.399?(2)?Å] and C-Br?? [3.797?(2) and 3.757?(2)?Å] inter-actions.

| S-EPMC3275230 | biostudies-literature

3-(3-Chloro-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)ClO(2)S, the 3-chloro-phenyl ring makes a dihedral angle of 84.48 (4)° with the mean plane [r.m.s. deviation = 0.004 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O, C-H⋯π and C-S⋯π [3.414 (2) Å] inter-actions. The crystal structure also exhibits weak π-π inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.826 (2), inter-planar distance = 3.447 (2) and slippage = 1.660 (2) Å].

| S-EPMC3343924 | biostudies-literature

3-(3-Fluoro-phenyl-sulfon-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)FO(3)S, the 3-fluoro-phenyl ring makes a dihedral angle of 73.39?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds. The crystal structure also exhibits a slipped ?-? inter-action between the furan and benzene rings of neighboring mol-ecules [centroid-centroid distance = 3.743?(2)?Å, inter-planar distance = 3.543?(2)?Å and slippage = 1.207?(2)?Å].

| S-EPMC3239004 | biostudies-literature

3-(3-Fluoro-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)FO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 78.38?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions. The crystal structure also exhibits a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distances = 3.628?(2)?Å, inter-planar distance = 3.417?(2)?Å and slippage = 1.219?(2)?Å].

| S-EPMC3247498 | biostudies-literature

3-(4-Fluoro-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)FO(2)S, the O atom and the 4-fluoro-phenyl group of the 4-fluoro-phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran; the 4-fluoro-phenyl ring is almost perpendicular to this plane, making a dihedral angle of 88.99?(4)°. The crystal structure exhibits inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions between the methyl H atom and the 4-fluoro-phenyl ring.

| S-EPMC2983614 | biostudies-literature

5-Bromo-3-(4-fluoro-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzofuran.

Project description:In the title mol-ecule, C(17)H(14)BrFO(2)S, the 4-fluoro-phenyl ring makes a dihedral angle of 75.92 (5)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds and aromatic π-π inter-actions between the benzene and the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.556 (1) Å].

| S-EPMC3051696 | biostudies-literature

3-(4-Fluoro-phenyl-sulfon-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)FO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 72.67?(5)° with the benzofuran plane. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3006839 | biostudies-other

3-(4-Chloro-phenyl-sulfin-yl)-2,5,7-tri-methyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)ClO(2)S, the O atom and the 4-chloro-phenyl group of the 4-chloro-phenyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment; the 4-chloro-phenyl ring is approximately perpendicular to this plane [dihedral angle = 87.12 (3)°]. In the crystal structure, mol-ecules are linked through a weak inter-molecular C-H⋯O hydrogen bond, and by weak C-S⋯π [3.394 (2) Å] and C-Cl⋯π [3.800 (2) Å] inter-actions.

| S-EPMC3008089 | biostudies-literature

3-(2-Bromo-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzo-furan.

Project description:In the title compound, C17H15BrO2S, both the benzo-furan and 2-bromo-phenyl rings are virtually planar, with r.m.s. deviations of 0.009?(2) and 0.006?(2)?Å, respectively. The dihedral angle between these mean planes is 89.31?(7)°. In the crystal, mol-ecules are linked via pairs of C-H?? inter-actions into inversion dimers. These dimers are further linked by C-H?? inter-actions into supra-molecular chains running along the b axis. In addition, C-S?? inter-actions, with an S-to-ring-centroid distance of 3.50?(2)?Å, are observed between inversion-related dimers.

| S-EPMC3793790 | biostudies-literature

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