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5-Cyclo-hexyl-2-(4-fluoro-phen-yl)-3-isopropyl-sulfonyl-1-benzofuran.

ABSTRACT: In the title compound, C(23)H(25)FO(2)S, the cyclo-hexyl ring adopts a chair conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 50.74 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by inter-molecular C-H⋯π inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3099937 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5-Cyclo-pentyl-2-(4-fluoro-phen-yl)-3-isopropyl-sulfonyl-1-benzofuran.

Project description:In the title compound, C22H23FO3S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The 4-fluoro-phenyl ring makes a dihedral angle of 43.67 (3)° 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⋯O and C-H⋯π inter-actions, forming a three--dimensional network. The crystal structure also exhibits slipped π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.883 (2) Å and slippage = 1.731 (2) Å].

| S-EPMC3588938 | biostudies-literature

3-Cyclo-hexyl-sulfonyl-5-isopropyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(24)O(3)S, the cyclo-hexyl ring adopts a chair conformation. In the crystal, mol-ecules are linked through weak non-classical inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3100029 | biostudies-literature

3-Cyclo-hexyl-sulfonyl-5-fluoro-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(17)FO(3)S, the cyclo-hexyl ring adopts a classic chair conformation and the aryl-sulfonyl unit is positioned equatorial relative to the cyclo-hexyl group. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3099950 | biostudies-literature

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

Project description:In the title compound, C(21)H(21)FO(2)S, the cyclo-hexyl ring adopts a classic chair conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 31.05?(6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC3051523 | biostudies-literature

5-Cyclo-hexyl-2-(3-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(21)H(21)FO(2)S, the cyclo-hexyl ring adopts a chair conformation. The 3-fluoro-phenyl ring makes a dihedral angle of 38.38 (6)° with the mean plane [r.m.s. deviation = 0.010 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds.

| S-EPMC3343925 | biostudies-literature

2-(4-Fluoro-phen-yl)-5-iodo-3-isopropyl-sulfonyl-1-benzofuran.

Project description:There are two symmetry-independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(17)H(14)FIO(3)S. The dihedral angle formed by the 4-fluoro-phenyl ring and the mean plane [r.m.s. deviation = 0.013?(2)?Å in mol-ecule A and 0.016?(2)?Å in mol-ecule B] of the benzofuran fragment is 57.71?(7)° in mol-ecule A and 44.95?(7)° in mol-ecule B. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds and I?O contacts [I?O = 3.3646?(15) and 3.2354?(14)?Å], forming a three--dimensional network.

| S-EPMC3515283 | biostudies-other

3-Cyclo-hexyl-sulfonyl-2,5-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(20)O(3)S, the cyclo-hexyl ring adopts a chair conformation and the aryl-sulfonyl unit is in the equatorial position. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC3089093 | biostudies-literature

2-(5-Cyclo-hexyl-3-isopropyl-sulfanyl-1-benzofuran-2-yl)acetic acid.

Project description:In the title compound, C(19)H(24)O(3)S, the cylohexyl ring adopts a chair conformation. In the crystal, molecules are linked via pairs of O-H?O hydrogen bonds, forming inversion dimers. These dimers are further stabilized by weak inter-molecular C-H?? inter-actions, and by slipped ?-? inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.557?(2)?Å, inter-planar distance = 3.301?(2)?Å and slippage = 1.325?(2)?Å].

| S-EPMC3275074 | biostudies-literature

(R(p))-2-Isopropyl-5-methyl-cyclo-hexyl isoprop-yl(phen-yl)phosphinate.

Project description:The title compound, C(19)H(31)O(2)P, features a distorted tetra-hedral P atom that bonds to the phenyl ring, isopropyl and 2-isopropyl-5-methyl-cyclo-hexyl groups, and is determined as having an R(p) configuration. A chair conformation is observed for the cyclo-hexyl ring. In the crystal, mol-ecules are linked into chains running along the a axis by weak inter-molecular C-H?O hodrogen bonds.

| S-EPMC3089224 | biostudies-literature

5-Cyclo-hexyl-3-(3-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 3-fluoro-phenyl ring makes a dihedral angle of 79.15?(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 and C-H?? inter-actions.

| S-EPMC3089263 | biostudies-literature

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