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2,5-Dimethyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzo-furan.

ABSTRACT: In the title compound, C17H16O3S, the dihedral angle between the 4-methyl-phenyl ring and the mean plane [r.m.s. deviation = 0.011?(1)?Å] of the benzo-furan ring system is 71.47?(5)°. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, and by slipped ?-? inter-actions between the benzo-furan ring systems of neighbouring mol-ecules [centroid-centroid distances = 3.638?(2) and 3.766?(2)?Å, inter-planar distances = 3.564?(2) and 3.454?(2)?Å, and slippages = 0.730?(2) and 1.501?(2)?Å], forming a three-dimensional network.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3648333 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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2,5-Dimethyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20130430 Pt 5

In the title compound, C17H16O3S, the dihedral angle between the 4-methyl-phenyl ring and the mean plane [r.m.s. deviation = 0.011 (1) Å] of the benzo-furan ring system is 71.47 (5)°. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, and by slipped π-π inter-actions between the benzo-furan ring systems of neighbouring mol-ecules [centroid-centroid distances = 3.638 (2) and 3.766 (2) Å, inter-planar distances = 3.564 (2) and 3.454 (2) Å, and slippages = 0.730 (2) and 1.501 (2) Å ...[more]

PMID: 23723953

Similar Datasets

Crystal structure of 2,5-dimethyl-3-(3-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C17H16O3S, the dihedral angle between the plane of the benzo-furan ring system [r.m.s. deviation = 0.010 (1) Å] and that of the 3-methyl-phenyl ring is 79.09 (5)°. Intra-molecular C-H⋯O hydrogen bonds are observed. In the crystal, mol-ecules are connected into a chain along the c-axis direction by two different pairs of inversion-generated inter-actions: C-H⋯π hydrogen bonds between the methyl groups and the benzene rings of the 3-methyl-phenyl fragments and π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.673 (2) Å].

| S-EPMC4186096 | biostudies-literature

Crystal structure of 2,5-dimethyl-3-(2-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:The title compound, C17H16O3S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the benzo-furan ring system [r.m.s. deviation of 0.013?(1) for A and 0.009?(1)?Å for B] and the 2-methyl-phenyl ring is 83.88?(5) for A and 86.94?(5)° for B. In the crystal, the B mol-ecules are linked into a chain along the b-axis direction by C-H?O hydrogen bonds. The A mol-ecules are connected on either side of this chain by further C-H?O hydrogen bonds. These chains are linked via C-H?? inter-actions, forming sheets parallel to (100). There are also very weak ?-? inter-actions present [centroid-centroid distance = 3.925?(11)?Å] involvingthe 2-methyl-phenyl rings of neighbouring A and B mol-ecules.

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5-Chloro-2,7-dimethyl-3-(3-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C17H15ClO3S, the dihedral angle between the mean planes of the benzo-furan and 3-methyl-phenyl rings is 76.99?(4)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds into chains along the b-axis direction. These chains are linked by ?-? inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.976?(2)?Å].

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5-Bromo-2,7-dimethyl-3-(3-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C17H15BrO3S, the dihedral angle between the mean planes of the benzo-furan and 3-methyl-phenyl rings is 77.37?(5)°. In the crystal, mol-ecules are linked via pairs of Br?O [Br?O = 3.335?(2)?Å] contacts into inversion dimers. These dimers are further linked by C-H?O hydrogen bonds and ?-? inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid separation = 3.884?(3)?Å] into supra-molecular chains running along the a-axis direction.

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5-Bromo-2,7-dimethyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C17H15BrO3S, the dihedral angle between the mean planes of the benzo-furan and 4-methyl-phenyl rings is 76.43?(5)°. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds into inversion dimers that are further linked by Br?Br [3.6517?(4)?Å] contacts about inversion centers into supra-molecular sheets that lie parallel to (111).

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Crystal structure of 2,5-dimethyl-3-(2-methyl-phenyl-sulfin-yl)-1-benzo-furan.

Project description:In the title compound, C17H16O2S, the dihedral angle between the benzo-furan ring system [r.m.s. deviation = 0.009?(1)?Å] and the 2-methyl-phenyl ring is 86.72?(4)°. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into columns along the b-axis direction.

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Crystal structure of 5-chloro-2,7-dimethyl-3-[(4-methyl-phenyl)-sulfon-yl]-1-benzo-furan.

Project description:In the title compound, C17H15ClO3S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.008?Å] and the 4-methyl-phenyl ring is 77.29?(4)°. In the crystal, mol-ecules are linked by ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.847?(2)?Å] and between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.743?(2)?Å]. The mol-ecules are stacked along the a-axis direction. In addition, pairs of C-H?O hydrogen bonds are observed between inversion-related dimers: these generate R 2 (2)(12) loops.

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5-Chloro-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:The title compound, C16H13ClO3S, crystallized with two independent mol-ecules in the asymmetric unit. The 4-methyl-phenyl rings make dihedral angles of 75.15?(4)° and 72.18?(4)° with the planes of the benzo-furan ring systems in the two mol-ecules. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions, forming a three-dimensional network.

| S-EPMC3772482 | biostudies-literature

5-Fluoro-2-methyl-3-(3-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C16H13FO3S, the dihedral angle between the mean planes of the benzo-furan ring system and the 3-methyl-phenyl ring is 80.96 (4)°. In the crystal, mol-ecules are linked via pairs of π-π inter-actions between furan and benzene rings, with centroid-centroid distances of 3.758 (1) and 3.771 (1) Å. A similar inter-action is found between furan rings, with a centroid-centroid distance of 3.661 (1) Å between neighbouring mol-ecules. The mol-ecules stack along the a-axis direction. In addition, C-H⋯O and C-H⋯π hydrogen bonds are observed between inversion-related dimers.

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5-Cyclo-pentyl-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C21H22O3S, the cyclo-pentyl ring adopts a twist conformation. The dihedral angle between the mean planes of the benzo-furan and 4-methyl-phenyl rings is 72.38?(6)°. In the crystal, mol-ecules are linked by C-H?O and C-H?? inter-actions, forming a three-dimensional supra-molecular network.

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