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

ABSTRACT: In the title compound, C(16)H(12)FlO(2)S, the 4-fluoro-phenyl ring makes a dihedral angle of 80.21?(6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds. The crystal structure also exhibits an inter-molecular I?F contact [3.423?(2)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3089076 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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

Choi Hong Dae HD Seo Pil Ja PJ Son Byeng Wha BW Lee Uk U

Acta crystallographica. Section E, Structure reports online 20110413 Pt 5

In the title compound, C(16)H(12)FlO(2)S, the 4-fluoro-phenyl ring makes a dihedral angle of 80.21 (6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds. The crystal structure also exhibits an inter-molecular I⋯F contact [3.423 (2) Å]. ...[more]

PMID: 21754404

Similar Datasets

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

Project description:In the title compound, C(16)H(12)FIO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 76.47?(6)° with the mean plane [r.m.s. deviation = 0.013?(2)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds,forming chains along the b-axis direction, and an I?O contact [3.204?(2)?Å]. The crystal structure also exhibits slipped ?-? inter-actions between the 3-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.683?(3)?Å and slippage = 1.708?(3)?Å].

| S-EPMC3470246 | biostudies-literature

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

Project description:In the title compound, C(16)H(12)BrFO(2)S, the 4-fluoro-phenyl ring makes a dihedral angle of 83.29 (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.

| S-EPMC3051491 | biostudies-literature

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

Project description:In the title compound, C(16)H(12)FIO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 72.31?(6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, and by an I?I contact [3.7764?(3)?Å]. The crystal structure also exhibits a weak C-I?? [3.901?(3)?Å] inter-action and a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.845?(3), inter-planar distance = 3.555?(3) and slippage = 1.465?(3)?Å].

| S-EPMC3254446 | biostudies-literature

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

Project description:In the title compound, C(16)H(13)FO(2)S, the O atom and the 4-fluoro-phenyl group of the 4-fluoro-phenyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment; the 4-fluoro-phenyl ring is nearly perpendicular to this plane, making a dihedral angle of 87.41 (3). The crystal structure exhibits a weak inter-molecular C-H⋯O hydrogen bond.

| S-EPMC2983593 | biostudies-literature

3-(4-Fluoro-phenyl-sulfin-yl)-5-iodo-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)FIO(2)S, the O atom and the 4-fluoro-phenyl group of the 4-fluoro-phenyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment; the 4-fluoro-phenyl ring is nearly perpendicular to this plane, making a dihedral angle of 83.37 (7)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds and an I⋯O inter-action [I⋯O = 3.255 (2) Å]. The crystal structure also exhibits inter-molecular C-F⋯π inter-actions [3.068 (2) Å], and aromatic π-π inter-actions between the furan and benzene rings of neighbouring benzofuran fragments [centroid-centroid distance = 3.636 (2) Å].

| S-EPMC3006988 | biostudies-literature

5-Iodo-2,7-dimethyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

Project description:In the title compound, C(17)H(15)IO(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 76.95?(5)° with the mean plane [r.m.s. deviation = 0.019?(2)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds, forming inversion dimers. These dimers are connected by slipped ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.671?(3)?Å and slippage = 1.049?(3)?Å].

| S-EPMC3470245 | biostudies-literature

5-Iodo-2,7-dimethyl-3-phenyl-sulfinyl-1-benzofuran.

Project description:The title compound, C(16)H(13)IO(2)S, was prepared by the oxidation of 5-iodo-2,7-dimethyl-3-phenyl-sulfanyl-1-benzofuran using 3-chloro-perbenzoic acid. The O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran system. The phenyl ring is nearly perpendicular to the plane of the benzofuran fragment [89.15 (5)°]. The crystal structure is stabilized by an I⋯O halogen bond [I⋯O = 3.177 (2) Å and C-I⋯O = 175.68 (6)°] linking mol-ecules into centrosymmetric dimers and by a weak C-H⋯π inter-action between a phenyl H atom and the furan ring of the benzofuran system.

| S-EPMC2960312 | biostudies-literature

5-Iodo-2,7-dimethyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(16)H(13)IO(3)S, was prepared by the oxidation of 5-iodo-2,7-dimethyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 76.31 (8)° with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules, and between the benzene rings of neighbouring mol-ecules; the centroid-centroid distances within the stack are 3.700 (4) and 3.788 (4) Å. In addition, the crystal structure exhibits inter- and intra-molecular C-H⋯O inter-actions, and an I⋯O halogen bond with an I⋯O distance of 3.282 (2) Å and a nearly linear C-I⋯O angle of 165.69 (8)°.

| S-EPMC2961136 | biostudies-literature

5-Bromo-3-(4-fluoro-phenyl-sulfon-yl)-2,7-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(12)BrFO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 72.35?(5)° with the mean plane [r.m.s. deviation = 0.008?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked into [010] chains via two different inversion-generated pairs of C-H?O hydrogen bonds. The crystal structure also exhibits slipped ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.667?(2)?Å and slippage = 1.341?(2)?Å], and between the benzene and the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.759?(2)?Å and slippage = 0.757?(2)?Å].

| S-EPMC3515296 | biostudies-literature

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

Project description: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.

| S-EPMC2979946 | biostudies-literature

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