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2-(4-Chloro-phen-yl)-3-methyl-sulfanyl-5-phenyl-1-benzofuran.

ABSTRACT: In the title compound, C(21)H(15)ClOS, the 4-chloro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 21.50 (6)°. The dihedral angle between the 5-phenyl ring and the benzofuran plane is 29.39 (6)°. The crystal studied was an inversion twin with a 0.65 (7):0.35 (6) domain ratio.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2983985 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description:In the title compound, C(21)H(15)FOS, the 4-fluoro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 24.3?(1)°. The dihedral angle between the phenyl ring and the benzofuran plane is 28.3?(1)°. The crystal structure may be stabilized by two very weak aromatic ?-? inter-actions between the furan and the benzene rings of neighbouring benzofuran systems; the centroid-centroid distances are 3.909?(4) and 4.028?(4)?Å.

| S-EPMC2971277 | biostudies-literature

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-literature

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

Project description:In the title compound, C(21)H(15)FOS, the dihedral angle between the mean plane of the benzofuran fragment and the mean planes of the pendant 4-fluoro-benzene and phenyl rings are 31.72?(6)° and 32.51?(6)°, respectively. In the crystal, the mol-ecules are linked by weak C-H?? inter-actions. The crystal studied was a merohedral twin with a 0.62?(9):0.38?(9) domain ratio.

| S-EPMC3201533 | biostudies-other

3-Ethyl-sulfanyl-2-(4-fluoro-phen-yl)-5-phenyl-1-benzofuran.

Project description:In the title compound, C(22)H(17)FOS, the crystal studied was an inversion twin with a 0.42?(18):0.58?(18) domain ratio. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 17.82?(6)°, and the dihedral angle between the 5-phenyl ring and the benzofuran plane is 29.45?(7)°.

| S-EPMC2979704 | biostudies-literature

Methyl 2-[5-(4-hydroxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran-2-yl]acetate.

Project description:In the title compound, C(18)H(16)O(4)S, the 4-hydroxy-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 34.52?(6)°. The methyl group of the methyl-sulfanyl substituent is almost perpendicular to the plane of the benzofuran fragment [100.90?(8)°] and is slightly tilted towards it. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds, and by inter-molecular C-H?? inter-actions between a methyl H atom of the methyl-sulfanyl substituent and the 4-hydroxy-phenyl ring.

| S-EPMC2970204 | biostudies-literature

2-(4-Bromo-phen-yl)-5,7-dimethyl-3-methyl-sulfanyl-1-benzofuran.

Project description:The title compound, C(17)H(15)BrOS, was prepared by the Lewis acid-catalysed reaction of 2,4-dimethyl-phenol with 4'-bromo-2-chloro-2-(methyl-sulfan-yl)acetophenone. The 4-bromo-phenyl ring is rotated slightly out of the benzofuran plane, making a dihedral angle of 8.4?(1)°. The crystal structure is stabilized by a CH(2)-H?? inter-action between the 5-methyl group and the benzene ring of the benzofuran system.

| S-EPMC2915216 | biostudies-literature

5-Chloro-2-(4-chloro-phen-yl)-7-methyl-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(16)H(12)Cl(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-chloro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 15.91?(4)°. In the crystal, mol-ecules are linked into chains along the b axis by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2983503 | biostudies-literature

Chlorido{5-chloro-2-[2-(methyl-sulfanyl)phenyl-diazen-yl]phenyl}-platinum(II).

Project description:The title compound, [Pt(C(13)H(10)ClN(2)S)Cl], contains a Pt atom tetra-coordinated by a benzene C, a diazene N, a Cl and an S atom in an approximately square-planar geometry. The mol-ecules dimerize through a nonbonded S⋯S inter-action [S⋯S = 3.523 (18) Å]. There are no hydrogen bonds and the crystal packing is stabilized by four inter-molecular π-π inter-actions; the centroid-centroid distances are 3.804 (3), 3.638 (3), 3.804 (3) and 3.638 (3) Å, and the corresponding perpendicular distances are 3.369, 3.448, 3.406 and 3.466 Å.

| S-EPMC2960293 | biostudies-literature

Isopropyl 2-[5-(4-hydroxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran-2-yl]acetate.

Project description:In the title compound, C(20)H(20)O(4)S, the 4-hydroxy-phenyl ring is rotated out of the plane of the benzofuran unit by 32.87?(8)°. The S-C(meth-yl) bond is almost perpendicular to the plane of the benzofuran fragment [77.8?(1)°] and is slightly tilted towards it. The crystal structure is stabilized by inter-molecular O-H?O and C-H?O hydrogen bonds.

| S-EPMC2970158 | biostudies-literature

3-(3-Chloro-phenyl-sulfin-yl)-2,4,6,7-tetra-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(17)ClO(2)S, the 3-chloro-phenyl ring makes a dihedral angle of 72.62?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?? inter-actions. The crystal structure also exhibits a slipped ?-? inter-action between the 3-chloro-phenyl rings of adjacent mol-ecules [centroid-centroid distance = 3.751?(2)?Å, inter-planar distance = 3.450?(2)?Å and slippage = 1.472?(2)?Å].

| S-EPMC3275274 | biostudies-literature

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