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Crystal structure of 5-chloro-2-(3-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzo-furan.

ABSTRACT: In the title compound, C15H10ClFO2S, the dihedral angle between the plane of the benzo-furan ring system [r.m.s. deviation = 0.013?(1)?Å] and that of the 3-fluoro-phenyl ring [r.m.s. deviation = 0.005?(1)?Å] is 31.36?(5)°. In the crystal, mol-ecules are linked by two different pairs of C-H?O hydrogen bonds, forming inversion dimers.

SUBMITTER: Choi HD

PROVIDER: S-EPMC4186186 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 5-chloro-2-(3-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzo-furan.

Choi Hong Dae HD Lee Uk U

Acta crystallographica. Section E, Structure reports online 20140809 Pt 9

In the title compound, C15H10ClFO2S, the dihedral angle between the plane of the benzo-furan ring system [r.m.s. deviation = 0.013 (1) Å] and that of the 3-fluoro-phenyl ring [r.m.s. deviation = 0.005 (1) Å] is 31.36 (5)°. In the crystal, mol-ecules are linked by two different pairs of C-H⋯O hydrogen bonds, forming inversion dimers. ...[more]

PMID: 25309297

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Crystal structure of 5-chloro-2-(2-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C15H10ClFO2S, the dihedral angle between the mean planes of the benzo-furan ring [r.m.s. deviation = 0.007 (1) Å] and the 2-fluoro-phenyl ring is 32.53 (5)°. In the crystal, mol-ecules related by inversion are paired into dimers via two different C-H⋯O hydrogen bonds. Further, Cl⋯O halogen bonds [3.114 (1) Å], and F⋯π [F-to-furan-centroid distance = 3.109 (1) Å] and S⋯F [3.1984 (9) Å] inter-actions link these into a three-dimensional network.

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5-Chloro-2-(4-fluoro-phen-yl)-7-methyl-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C16H12ClFO2S, the 4-fluoro-phenyl ring makes a dihedral angle of 16.43?(4)° with the mean plane [r.m.s. deviation = 0.012?(1)?Å] of the benzo-furan fragment. In the crystal, mol-ecules are linked by pairs of Cl?O contacts [3.1839?(12)?Å] into inversion dimers, which are further packed into stacks along the b axis by weak C-H?O hydrogen bonds.

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Crystal structure of 2-(3-fluoro-phen-yl)-5-iodo-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C15H10FIO2S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.015?(2)?Å] and the 3-fluoro-phenyl ring is 29.63?(7)°. In the crystal, mol-ecules are linked into inversion dimers along the b-axis direction by two different pairs of C-H?O hydrogen bonds and I?O [3.228?(1)?Å] contacts.

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Project description:In the title compound, C15H10F2O2S, the dihedral angle between the plane of the benzo-furan ring system (r.m.s. deviation = 0.015?Å) and that of the 2-fluoro-phenyl ring is 28.53?(6)°. In the crystal, mol-ecules are linked by C-H?O and C-H?F hydrogen bonds, and by ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.625?(2)?Å], forming a three-dimensional network.

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5-Chloro-2-(4-methyl-phen-yl)-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C16H13ClO2S, the dihedral angle between the mean plane [r.m.s. deviation = 0.004?(2)?Å] of the benzo-furan ring system and the 4-methyl-phenyl ring is 29.25?(8)°. In the crystal, inversion dimers linked by pairs of weak C-H?O interactions generate R 2 (2)(14) loops.

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Crystal structure of 5-fluoro-2-(3-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C15H10F2O2S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.015?(1)?Å] and the 3-fluoro-phenyl ring is 26.60?(5)°. In the crystal, mol-ecules are linked by C-H?O and C-H?F hydrogen bonds, and by ?-? inter-actions between the benzo-furan rings of inversion-related mol-ecules [centroid(benzene)-centroid(furan) distance = 3.819?(2)?Å], forming a three-dimensional network.

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5-Bromo-2-(2-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C15H10BrFO2S, the 2-fluoro-phenyl ring makes a dihedral angle of 32.28?(6)° with the mean plane [r.m.s. deviation = 0.010?(1)?Å] of the benzo-furan fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds and Br?O contacts [3.0917?(13)?Å], forming a three-dimensional network.

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5-Fluoro-2-(4-fluoro-phen-yl)-7-methyl-3-phenyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C21H14F2O2S, the dihedral angles between the mean plane [r.m.s. deviation = 0.007?(2)?Å] of the benzo-furan ring system and the pendant 4-fluoro-phenyl and phenyl rings are 5.93?(9) and 80.23?(5)°, respectively. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions, forming a three-dimensional network.

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5-Chloro-3-ethyl-sulfinyl-7-methyl-2-(4-methyl-phen-yl)-1-benzo-furan.

Project description:In the title compound, C18H17ClO2S, the dihedral angle between the mean planes of the benzo-furan ring system and the methyl-phenyl ring is 14.50?(4)°. The centroid-centroid distances between the benzene and the methyl-phenyl rings are 3.827?(2) and 3.741?(2)?Å, while the centroid-centroid distance between the furan and methyl-phenyl rings is 3.843?(2)?Å. These distances indicate ?-? inter-actions; on the other hand, the inter-planar angles between the benzene and methyl-phenyl rings, and between the furan and methyl-phenyl rings are 13.89?(4) and 15.53?(4)°, respectively. In the crystal, the mol-ecules stack along the a-axis direction.

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5-Cyclo-hexyl-2-(2-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C21H21FO2S, the cyclo-hexyl ring adopts a chair conformation. The 2-fluoro-benzene ring makes a dihedral angle of 38.68?(6)° with the mean plane [r.m.s. deviation = 0.018?(2)?Å] of the benzo-furan fragment. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds into dimers, which are further packed into stacks along the c axis by C-H?O hydrogen bonds. In addition, the stacked mol-ecules exhibit S?O contacts [3.1733?(13)?Å] involving the sulfinyl groups. The F atom is disordered over two positions, with site-occupancy factors of 0.961?(3) and 0.039?(3).

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