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3-[(4-Chloro-phen-yl)sulfin-yl]-2,4,6,7-tetra-methyl-1-benzofuran.

ABSTRACT: In the title compound, C(18)H(17)ClO(2)S, the 4-chloro-phenyl ring is oriented approximately perpendicular to the mean plane of the benzofuran ring [dihedral angle = 87.49?(5)°]. In the crystal, mol-ecules are linked through weak inter-molecular C-H?? inter-actions, forming left- and right-handed pseudo-helices along the a axis.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3011414 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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3-[(4-Chloro-phen-yl)sulfin-yl]-2,4,6,7-tetra-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 20101106 Pt 12

In the title compound, C(18)H(17)ClO(2)S, the 4-chloro-phenyl ring is oriented approximately perpendicular to the mean plane of the benzofuran ring [dihedral angle = 87.49 (5)°]. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯π inter-actions, forming left- and right-handed pseudo-helices along the a axis. ...[more]

PMID: 21589394

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3-(3-Chloro-phenyl-sulfin-yl)-2,4,6,7-tetra-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(17)ClO(2)S, the 3-chloro-phenyl ring makes a dihedral angle of 72.62?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?? inter-actions. The crystal structure also exhibits a slipped ?-? inter-action between the 3-chloro-phenyl rings of adjacent mol-ecules [centroid-centroid distance = 3.751?(2)?Å, inter-planar distance = 3.450?(2)?Å and slippage = 1.472?(2)?Å].

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3-(4-Fluoro-phenyl-sulfin-yl)-2,4,6,7-tetra-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(17)FO(2)S, the 4-fluoro-phenyl ring is almost perpendicular to the benzofuran fragment [88.07?(5)°]. The crystal structure exhibits weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions. The mol-ecules form pseudo-helices along the a axis.

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3-(2-Fluoro-phenyl-sulfin-yl)-2,4,5,6-tetra-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(17)FO(2)S, the 2-fluoro-phenyl ring makes a dihedral angle of 85.45?(4)° with the mean plane [r.m.s. deviation = 0.017?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions.

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Project description:In the title compound, C(15)H(10)BrClO(2)S, the 4-chloro-phenyl ring is oriented approximately perpendicular to the mean plane of the benzofuran ring [dihedral angle = 89.55?(9)°]. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds and and a Br?Br contact [3.783?(3)?Å].

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Project description:In the title compound, C(16)H(12)Cl(2)O(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-chloro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 15.91?(4)°. In the crystal, mol-ecules are linked into chains along the b axis by weak inter-molecular C-H?O hydrogen bonds.

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Project description:In the title mol-ecule, C(17)H(15)ClO(2)S, the 4-chloro-phenyl ring is oriented approximately perpendicular to the mean plane of the benzofuran ring [dihedral angle = 88.98?(4)°]. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O and C-H?? inter-actions, forming right-hand pseudo-helices along the a axis.

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Project description:In the crystal structure of the title compound, C(16)H(13)ClO(2)S, the 4-chloro-phenyl ring is oriented approximately perpendicular to the benzofuran ring plane [dihedral angle = 82.45?(5)°]. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?? inter-actions.

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Project description:In the title compound, C(17)H(15)ClO(2)S, the 3-chloro-phenyl ring makes a dihedral angle of 71.46?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds and a slipped ?-? inter-action between the 3-chloro-phenyl rings of adjacent mol-ecules [centroid-centroid distance = 3.630?(2)?Å, inter-planar distance = 3.375?(2)?Å and slippage = 1.337?(2)?Å].

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3-(3-Chloro-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)ClO(2)S, the 3-chloro-phenyl ring makes a dihedral angle of 84.48 (4)° with the mean plane [r.m.s. deviation = 0.004 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O, C-H⋯π and C-S⋯π [3.414 (2) Å] inter-actions. The crystal structure also exhibits weak π-π inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.826 (2), inter-planar distance = 3.447 (2) and slippage = 1.660 (2) Å].

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5-Chloro-2-(4-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)ClFO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 25.99?(4)°. The crystal structure is stabilized by a non-classical inter-molecular C-H?O hydrogen bond and a Cl?O halogen bond [3.244?(1)?Å].

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