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

ABSTRACT: 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?? inter-action involving the phenyl ring of the benzofuran. The crystal structure also exhibits a slipped ?-? 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].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3089368 | biostudies-other | 2011 May

REPOSITORIES: biostudies-other

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

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

Acta crystallographica. Section E, Structure reports online 20110407 Pt 5

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]. ...[more]

PMID: 21754366

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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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Project description:In the title compound, C(16)H(19)BrO(3)S, the cyclo-hexyl ring adopts a chair conformation. In the crystal, mol-ecules are linked through weak C-H?O hydrogen bonds and Br?O contacts [3.211?(1)?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 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?? inter-actions.

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