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

ABSTRACT: 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.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3099820 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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

Choi Hong Dae HD Seo Pil Ja PJ Son Byeng Wha BW Lee Uk U

Acta crystallographica. Section E, Structure reports online 20110309 Pt 4

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. ...[more]

PMID: 21754092

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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].

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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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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].

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