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3-Ethyl-sulfinyl-2-(3-fluoro-phen-yl)-5,6-methyl-enedi-oxy-1-benzofuran.

ABSTRACT: In the title compound, C17H13FO4S, the 3-fluoro-phenyl ring makes a dihedral angle of 6.14 (5)° with the mean plane [r.m.s. deviation = 0.008 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯F, C-H⋯O and C-H⋯π inter-actions, forming a three--dimensional network. The crystal structure also exhibits slipped π-π inter-actions between the 3-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.769 (2) Å and slippage = 1.684 (2) Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3588941 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-Ethyl-sulfinyl-2-(4-fluoro-phen-yl)-5,6-methyl-enedi-oxy-1-benzofuran.

Project description:In the title compound, C(17)H(13)FO(4)S, the 4-fluoro-phenyl ring makes a dihedral angle of 4.92?(4)° with the plane of the 5,6-methyl-enedi-oxy-1-benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?F hydrogen bonds.

| S-EPMC2979611 | biostudies-literature

2-(4-Fluoro-phen-yl)-5,6-methyl-enedi-oxy-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(16)H(11)FO(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent are located on opposite sides of the mean plane through the 5,6-(methyl-enedi-oxy)benzofuran fragment. The 4-fluoro-phenyl ring is rotated out of the 5,6-(methyl-enedi-oxy)benzofuran plane, making a dihedral angle of 29.90?(6)°. In the crystal structure, both inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers. The combination of C-H?O hydrogen bonds result in chains running along [1].

| S-EPMC2983733 | biostudies-literature

2-(4-Fluoro-phen-yl)-3-isopropyl-sulfinyl-5,6-methyl-enedi-oxy-1-benzofuran.

Project description:In the title compound, C(18)H(15)FO(4)S, the fluoro-benzene ring makes a dihedral angle of 4.3 (1)° 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 O atom of the sulfinyl group is disordered over two orientations, with site-occupancy factors of 0.940 (3) and 0.060 (3).

| S-EPMC3239126 | biostudies-literature

2-(4-Fluoro-phen-yl)-5,6-methyl-enedi-oxy-3-phenyl-sulfinyl-1-benzofuran monohydrate.

Project description:In the title compound, C(21)H(13)FO(4)S·H(2)O, the dihedral angles between the mean plane of the benzofuran fragment (r.m.s. deviation = 0.005?Å) and the pendant 4-fluoro-phenyl and phenyl rings are 6.24?(7) and 83.39?(6)°, respectively. In the crystal, mol-ecules are linked by O-H?O and C-H?O hydrogen bonds.

| S-EPMC3275053 | biostudies-literature

2-(4-Bromo-phen-yl)-5,6-methyl-enedi-oxy-3-phenyl-sulfinyl-1-benzofuran benzene solvate.

Project description:In the title compound, C(21)H(13)BrO(4)S·C(6)H(6), the O atom and the phenyl group of the phenyl-sulfinyl substituent are located on opposite sides of the mean plane of the 5,6-methyl-enedioxy-benzofuran fragment; the phenyl ring is almost perpendicular to this plane [83.66?(6)°]. The 4-bromo-phenyl ring is rotated slightly out of the 5,6-methyl-enedioxy-benzo-furan plane, making a dihedral angle of 2.9?(1)°. The crystal structure is stabilized by inter-molecular C-H?O hydrogen bonds and inter-molecular C-H?? inter-actions. The crystal structure also exhibits ?-? inter-actions between the benzene ring and the 4-bromo-phenyl ring of an adjacent mol-ecule [centroid-centroid distance = 3.586?(3)?Å].

| S-EPMC2970418 | biostudies-literature

5-Bromo-3-ethyl-sulfinyl-2-(4-fluoro-phen-yl)-7-methyl-1-benzofuran.

Project description:In the title compound, C(17)H(14)BrFO(2)S, the 4-fluoro-phenyl ring is rotated slightly out of the benzofuran plane, making a dihedral angle of 7.60?(4)°. The crystal structure is stabilized by a Br?O halogen-bonding inter-action [3.048?(1)?Å].

| S-EPMC2979252 | biostudies-literature

3-Ethyl-sulfinyl-2-(3-fluoro-phen-yl)-5-iodo-7-methyl-1-benzofuran.

Project description:In the title compound, C(17)H(14)FIO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 14.56?(5)° with the mean plane [r.m.s. deviation = 0.012?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked via pairs of I?O contacts [3.038?(2)?Å], forming inversion dimers. In the 3-fluoro-phenyl ring, the F atom is disordered over two positions, with site-occupancy factors of 0.747?(3) and 0.253?(3).

| S-EPMC3470334 | biostudies-literature

3-Ethyl-sulfinyl-2-(4-fluoro-phen-yl)-5-iodo-7-methyl-1-benzofuran.

Project description:In the title compound, C(17)H(14)FIO(2)S, the 4-fluoro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 15.60 (6)°. The crystal structure exhibits an I⋯O inter-action [3.052 (2) Å].

| S-EPMC2983596 | biostudies-literature

5-Fluoro-2-(4-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)F(2)O(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane by a dihedral angle of 28.09?(3)°. The crystal structure is stabilized by weak inter-molecular C-H?O and C-H?F hydrogen bonds.

| S-EPMC2971451 | biostudies-literature

5-Fluoro-2-(4-methyl-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C16H13FO2S, the 4-methyl-phenyl ring makes a dihedral angle of 29.53 (4)° with the mean plane of the benzofuran fragment [r.m.s. deviation = 0.004 (1) Å]. In the crystal, mol-ecules are linked by pairs of weak C-H⋯O hydrogen bonds, forming inversion dimers that stack along the a axis.

| S-EPMC3588940 | biostudies-literature

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