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3-(3-Chloro-phenyl-sulfon-yl)-5-isopropyl-2-methyl-1-benzofuran.

ABSTRACT: In the title compound, C(18)H(17)ClO(3)S, the 3-chloro-benzene ring makes a dihedral angle of 82.04 (5)° with the mean plane [r.m.s. deviation = 0.006 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3343923 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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3-(3-Chloro-phenyl-sulfon-yl)-5-isopropyl-2-methyl-1-benzofuran.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20120303 Pt 4

In the title compound, C(18)H(17)ClO(3)S, the 3-chloro-benzene ring makes a dihedral angle of 82.04 (5)° with the mean plane [r.m.s. deviation = 0.006 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions. ...[more]

PMID: 22590004

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3-(4-Chloro-phenyl-sulfon-yl)-5-isopropyl-2-methyl-1-benzofuran.

Project description:In the title mol-ecule, C(18)H(17)ClO(3)S, the 4-chloro-phenyl ring makes a dihedral angle of 77.03 (5)° with the mean plane of the benzofuran fragment. In the crystal structure, the mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC3089266 | biostudies-literature

3-(4-Fluoro-phenyl-sulfon-yl)-5-isopropyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(17)FO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 82.12 (4)° with the plane of the benzofuran fragment. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

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5-Chloro-3-(4-fluoro-phenyl-sulfon-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)ClFO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 75.83 (5)° with the plane of the benzofuran fragment. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked via an aromatic π-π inter-action between the benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.510 (2) Å].

| S-EPMC3007851 | biostudies-literature

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

Project description:In the title compound, C(15)H(10)BrClO(3)S, the 4-bromo-substituted benzene ring forms a dihedral angle of 72.55 (6)° with the mean plane [mean deviation = 0.008 (2) Å] of the benzofuran ring system. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds into chains along [001]. There are also π-π inter-actions between the furan and benzene rings of symmetry-related benzofuran systems [centroid-centroid distances = 3.549 (3) and 3.632 (3) Å].

| S-EPMC3393296 | biostudies-literature

3-(4-Chloro-phenyl-sulfon-yl)-2,5-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(13)ClO(3)S, the 4-chloro-phenyl ring makes a dihedral angle of 79.96 (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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3-(3-Chloro-phenyl-sulfon-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)ClO(3)S, the 3-chloro-phenyl ring makes a dihedral angle of 77.76 (6)° with the mean plane [r.m.s. deviation = 0.007 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O and C-H⋯π inter-actions.

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3-(3-Chloro-phenyl-sulfon-yl)-2,5-dimethyl-1-benzofuran.

Project description:In the title molecule, C(16)H(13)ClO(3)S, the 3-chloro-phenyl ring makes a dihedral angle of 76.30 (5)° with the mean plane of the benzofuran fragment. In the crystal, pairs of inter-molecular C-H⋯π inter-actions link the mol-ecules into inversion dimers.

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2,5,7-Trimethyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

Project description:In the title compound, C(18)H(18)O(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 86.35 (3)° with the mean plane [mean deviation = 0.006 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions. The crystal structure also exhibits weak π-π inter-actions between the furan and benzene rings of neighbouring benzofuran systems [centroid-centroid distance = 3.685 (2), inter-planar distance = 3.572 (2) and slippage = 0.906 (2) Å].

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

Project description:In the title compound, C(16)H(13)BrO(3)S, the 4-methyl-phenyl group makes a dihedral angle of 70.1 (1)° with the mean plane [average deviation = 0.012 (2) Å] of the benzofuran unit. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds. There are also π-π inter-actions between the furan and benzene rings of adjacent benzofuran systems [centroid-centroid distances = 3.621 (2) and 3.665 (2) Å], along with halogen-halogen inter-actions [Br⋯Br separation = 3.674 (1) Å].

| S-EPMC3393953 | biostudies-literature

5-Fluoro-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

Project description:In the title compound, C(16)H(13)FO(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 76.04 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, and by a slipped π-π inter-action between the furan and benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.780 (2) Å, inter-planar distance = 3.475 (2) Å and slippage = 1.488 (2) Å].

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