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3-Cyclo-hexyl-sulfinyl-5-iodo-2-methyl-1-benzofuran.

ABSTRACT: There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(15)H(17)ClO(2)S, in each of which the cyclo-hexyl ring adopts a chair conformation. The benzofuran units in each mol-ecule are essentially planar, with mean deviations from a least-squares plane defined by the nine constituent ring atoms of 0.006 (2) Å for A and 0.011 (2) Å for B. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O and C-H⋯π inter-actions and by two I⋯O contacts [I⋯O = 3.079 (2) and 3.017 (2) Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3099997 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5-Cyclo-hexyl-3-methyl-sulfinyl-2-phenyl-1-benzofuran.

Project description:In the title compound, C(21)H(22)O(2)S, the cyclo-hexyl ring adopts a chair conformation while the phenyl ring makes a dihedral angle of 33.38 (5)° 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⋯π inter-actions.

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5-Bromo-3-cyclo-hexyl-sulfinyl-2-methyl-1-benzofuran.

Project description:In the asymmetric unit of the title compound, C(15)H(17)BrO(3)S, there are two independent mol-ecules. The cyclo-hexane rings in each adopt classic chair conformations. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds and aromatic π-π inter-actions between the furan rings of symmetry-related mol-ecules [centroid-centroid distance = 3.555 (2) Å].

| S-EPMC3051560 | biostudies-literature

5-Cyclo-hexyl-2-methyl-3-phenyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(21)H(22)O(2)S, the cyclo-hexyl ring adopts a chair conformation. The phenyl ring makes a dihedral angle of 84.80 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O hydrogen bonds.

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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

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⋯π inter-actions.

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5-Chloro-3-cyclo-hexyl-sulfinyl-2-methyl-1-benzofuran.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(15)H(17)ClO(2)S, in each of which the cyclo-hexyl rings adopt chair conformations. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds.

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5-Chloro-3-cyclo-hexyl-sulfinyl-2,7-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(19)ClO(2)S, the cyclo-hexyl ring adopts a chair conformation and the aryl-sulfinyl unit is positioned equatorial relative to the cyclo-hexyl group. The least-squares plane through all six C atoms of the cyclo-hexyl ring makes a dihedral angle of 74.80 (6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3200660 | biostudies-literature

5-Bromo-3-cyclo-hexyl-sulfinyl-2,7-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(19)BrO(2)S, the cyclo-hexyl ring adopts a chair conformation. In the crystal, mol-ecules are linked by a Br⋯Br [3.5994 (5) Å] contact and a C-H⋯π inter-action involving the phenyl ring of the benzofuran. The crystal structure also exhibits a slipped π-π inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.767 (1) Å and inter-planar distance of 3.452 (1) Å with a slippage of 1.508 Å].

| S-EPMC3089368 | biostudies-literature

3-Cyclo-hexyl-sulfonyl-5-iodo-2,7-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(19)IO(3)S, the cyclo-hexyl ring adopts a chair conformation. In the crystal, pairs of inter-molecular I?O contacts [3.269?(2)?Å] link the mol-ecules into inversion dimers. These dimers are further stabilized by a slipped ?-? inter-action between the benzene and furan rings of adjacent mol-ecules [centroid-centroid distance = 3.701?(3)?Å, inter-planar distance = 3.372?(3)?Å and slippage = 1.525?(3)?Å].

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5-Iodo-7-methyl-3-methyl-sulfinyl-2-phenyl-1-benzofuran.

Project description:The title compound, C(16)H(13)IO(2)S, was prepared by the oxidation of 5-iodo-7-methyl-3-methyl-sulfanyl-2-phenyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 27.17 (9)° with the plane of the benzofuran fragment, with the O atom and the methyl group of the methyl-sulfinyl substituent lying on opposite sides of this plane. The crystal structure exhibits inter-molecular C-H⋯I inter-actions, and an I⋯O halogen bond of 3.107 (2) Å with a nearly linear C-I⋯O angle of 173.73 (6)°.

| S-EPMC2961360 | biostudies-literature

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