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

ABSTRACT: 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?? inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3089266 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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3-(4-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 20110429 Pt 5

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. ...[more]

PMID: 21754524

Similar Datasets

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

Project description: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.

| S-EPMC3343923 | biostudies-literature

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-(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?? inter-actions link the mol-ecules into inversion dimers.

| S-EPMC3201520 | biostudies-literature

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.

| S-EPMC3343926 | 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?? inter-actions.

| S-EPMC2979105 | biostudies-other

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?? inter-actions. The crystal structure also exhibits weak ?-? 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-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 ?-? 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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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

N-(2-Chloro-phenyl-sulfon-yl)-2-methyl-propanamide.

Project description:In the title compound, C(10)H(12)ClNO(3)S, the amide H atom is syn with respect to the ortho-chloro group in the benzene ring and the C-S-N-C torsion angle is 64.35 (16)°. The benzene ring and the SO(2)-NH-CO-C segment form a dihedral angle of 87.4 (1)°. The crystal structure features inversion-related dimers linked by pairs of N-H⋯O hydrogen bonds.

| S-EPMC3052113 | biostudies-literature

N-(4-Chloro-phenyl-sulfon-yl)-2-methyl-propanamide.

Project description:In the crystal structure of the title compound, C(10)H(12)ClNO(3)S, the N-C bond in the C-SO(2)-NH-C segment has a gauche torsion with respect to the S=O bonds. The mol-ecule is twisted at the S atom with a C-S-N-C torsion angle of -62.3 (3)°. The benzene ring and the SO(2)-NH-CO-C segment form a dihedral angle of 89.3 (1)°. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds into inversion dimers.

| S-EPMC3200645 | biostudies-literature

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