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

ABSTRACT: In the title compound, C(20)H(20)O(2)S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The phenyl ring makes a dihedral angle of 32.36 (9)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak C-H⋯O inter-actions. In the cyclo-pentyl ring, two adjacent C atoms are disordered over two sets of sites with site occupancy factors of 0.675 (8) and 0.325 (8).

SUBMITTER: Choi HD

PROVIDER: S-EPMC3099988 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description:In the title compound, C(14)H(15)BrO(2)S, the cyclo-pentyl ring adopts an envelope conformation. In the cyclo-pentyl ring, two adjacent C atoms are disordered over two sets of sites with site-occupancy factors of 0.618?(11) and 0.382?(11). In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds.

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

Project description:In the title compound, C(14)H(15)ClO(2)S, the cyclo-pentyl ring adopts an envelope conformation. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds. The crystal structure also exhibits a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.784?(3)?Å, inter-planar distance = 3.199?(3)?Å and slippage = 2.021?(3)?Å].

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

Project description:In the title compound, C(21)H(22)O(2)S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The benzofuran unit is essentially planar, with a mean deviation from the least-squares plane defined by the nine constituent ring atoms of 0.008?(2)?Å. In the crystal, mol-ecules are linked via pairs of C-H?? inter-actions, forming inversion dimers. In the ring of the 4-methyl-phenyl group, four C atoms and their attached H atoms are disordered over two sets of sites, with site-ccupancy factors of 0.899?(5) and 0.10.

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5-Cyclo-pentyl-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:In the title compound, C(20)H(20)O(3)S, the cyclo-pentyl ring adopts an envelope conformation. The phenyl ring makes a dihedral angle of 81.40 (6)° 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⋯π inter-actions.

| S-EPMC3200710 | biostudies-literature

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

Project description:In the title compound, C(20)H(19)FO(2)S, the benzofuran fragment is essentially planar, with a largest deviation from the mean plane of 0.026?(2)?Å. The benzene ring makes a dihedral angle of 30.72?(12)° with this plane. The cyclo-pentyl group adopts an envelope conformation, with the ?-C atom as the flap. This atom is disordered over two sites with occupancy factors of 0.803?(16) and 0.197?(16). In the crystal, mol-ecules are linked by weak C-H?O, C-H?? and C-F?? [3.257?(3)?Å] inter-actions.

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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-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-pentyl-sulfinyl-2,7-dimethyl-1-benzofuran.

Project description:In the title compound, C(15)H(17)BrO(2)S, the cyclo-pentyl ring adopts an envelope conformation. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds. A slipped ?-? inter-action occurs between the furan and benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.892?(3)?Å and slippage = 1.786?(3)?Å]. The crystal structure also exhibits a weak C-Br?? [2.919?(3)?Å] inter-action.

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

Project description:In the title compound, C(20)H(19)BrO(3)S, the cyclo-pentyl ring adopts an envelope conformation. The 4-bromo-phenyl ring makes a dihedral angle of 82.09?(6)° with the mean plane [mean deviation = 0.026?(2)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds and Br?O contacts [3.309?(2)?Å].

| S-EPMC3379229 | biostudies-literature

3-Methyl-sulfinyl-2-phenyl-1-benzofuran.

Project description:The title compound, C(15)H(12)O(2)S, was prepared by the oxidation of 3-methyl-sulfanyl-2-phenyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 37.65?(8)° with the plane of the benzofuran fragment. The O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran ring system. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.549?(2)?Å] and by inter-molecular C-H?O inter-actions.

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