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

ABSTRACT: In the title compound, C(16)H(12)FIO(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 slightly out of the benzofuran plane, as indicated by the dihedral angle of 7.43?(6)°. In the crystal structure, pairs of short I?O [3.074?(2)?Å] contacts link the mol-ecules into centrosymmetric dimers. These dimers are further linked via aromatic ?-? inter-actions between the benzene and the 4-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.617?(3)?Å].

PROVIDER: S-EPMC3006691 | BioStudies |

REPOSITORIES: biostudies

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5-Chloro-3-(4-fluoro-phenyl-sulfon-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)ClFO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 75.83?(5)° with the plane of the benzofuran fragment. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked via an aromatic ?-? inter-action between the benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.510?(2)?Å].

2010-01-01 | S-EPMC3007851 | BioStudies

3-[(4-Fluoro-phen-yl)sulfon-yl]-5-iodo-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)FIO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 72.27?(6)° with the mean plane of the benzofuran fragment [mean deviation of 0.014?(2)?Å from the plane defined by the nine constituent atoms]. In the crystal, pairs of weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked via an aromatic ?-? inter-actions between the iodo-benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.569?(3)?Å].

2010-01-01 | S-EPMC3007891 | BioStudies

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

Project description:In the title compound, C(16)H(12)FIO(2)S, the 4-fluoro-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 4.48?(5)°. In the crystal structure, pairs of I?O halogen bonds [I?O = 3.123?(1)?Å] link the mol-ecules into centrosymmetric dimers. These dimers are further linked via aromatic ?-? inter-actions between the benzene and 4-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.620?(3)?Å].

2010-01-01 | S-EPMC2979084 | BioStudies

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

Project description: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].

| S-EPMC3588941 | BioStudies

2-(3-Fluoro-phen-yl)-3-methyl-sulfanyl-5-phenyl-1-benzofuran.

Project description:In the title compound, C(21)H(15)FOS, the dihedral angles between the mean plane of the benzofuran fragment and the pendant 3-fluoro-phenyl and phenyl rings are 1.76?(5) and 32.29?(5)°, respectively. In the crystal, mol-ecules are linked by a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.665?(2)?Å, inter-planar distance = 3.391?(2)?Å and slippage = 1.390?(2)?Å].

| S-EPMC3247405 | BioStudies

5-Bromo-3-(4-fluoro-phenyl-sulfon-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)BrFO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 76.51?(6)° with the plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak non-classical inter-molecular C-H?O hydrogen bonds and an aromatic ?-? inter-action between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.540?(3)?Å].

| S-EPMC3007450 | BioStudies

5-Ethyl-3-(4-Fluoro-phenyl-sulfon-yl)-2-methyl-1-benzofuran.

Project description:In the title mol-ecule, C(17)H(15)FO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 74.06?(4)° with the mean plane of the benzofuran fragment. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H?O and C-H?? inter-actions. The crystal structure also exhibits aromatic ?-? inter-actions between the benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.629?(2)?Å].

| S-EPMC2983155 | BioStudies

2-(3-Fluoro-phen-yl)-5-iodo-7-methyl-3-methyl-sulfinyl-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 34.93?(7)° with the mean plane [r.m.s. deviation = 0.019?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked via pairs of I?O contacts [3.088?(2)?Å] into inversion dimers. These dimers are connected by weak C-H?O hydrogen bonds.

2012-01-01 | S-EPMC3379219 | BioStudies

5-Cyclo-hexyl-3-(4-fluoro-phenyl-sulfon-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(21)H(21)FO(3)S, the cyclo-hexyl ring adopts a chair conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 77.71?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through inter-molecular C-H?O hydrogen bonds and aromatic ?-? inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.578?(2)?Å].

| S-EPMC3099782 | BioStudies

5-Fluoro-3-(3-fluoro-phenyl-sulfon-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)F(2)O(3)S, the 3-fluoro-phenyl ring makes a dihedral angle of 79.51 (6)° with the mean plane [r.m.s. deviation = 0.006 (2) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯F and C-H⋯O hydrogen bonds. The crystal structure also exhibits slipped π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distances = 3.563 (3) and 3.820 (3) Å and slippages of 0.358 (3)and 1.551 (3) Å]. In the 3-fluoro-phenyl ring, the F atom is disordered over two positions with site-occupancy factors of 0.887 (3) and 0.113 (3).

| S-EPMC3414932 | BioStudies

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