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3-(3-Bromo-phenyl-sulfin-yl)-5-cyclo-hexyl-2-methyl-1-benzo-furan.

ABSTRACT: In the title compound, C21H21BrO2S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.178?(2)?Å] of the benzo-furan ring system and the mean plane of the 3-bromo-phenyl ring is 86.52?(6)°. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? hydrogen bonds, and by a slipped ?-? inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.518?(3)?Å, inter-planar distance = 3.471?(3)?Å and slippage = 0.573?(3)?Å], resulting in a three-dimensional network.

PROVIDER: S-EPMC3998404 | BioStudies | 2014-01-01T00:00:00Z

REPOSITORIES: biostudies

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5-Cyclo-hexyl-3-(2-fluoro-phenyl-sulfin-yl)-2-methyl-1-benzo-furan.

Project description:In the title compound, C21H21FO2S, the cyclo-hexyl ring adopts a chair conformation. The 2-fluoro-phenyl ring makes a dihedral angle of 88.47?(4)° with the mean plane [r.m.s. deviation = 0.013?(1)?Å] of the benzo-furan fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions, forming chains propagating along [100]. The crystal structure also exhibits slipped ?-? inter-actions between the furan rings of neighboring mol-ecules [centroid-to-centroid distance = 3.397?(2)?Å, inter-planar distance = 3.346?(2)?Å and slippage = 0.586?(2)?Å].

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1-(4-Bromo-phenyl-sulfin-yl)-2-methyl-naphtho-[2,1-b]furan.

Project description:In the title compound, C(19)H(13)BrO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 83.75?(4)° with the mean plane of the naphtho-furan fragment [r.m.s. deviation = 0.024?(2)?Å]. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds, forming inversion dimers. These dimers are connected by weak ?-? inter-actions between the central naphtho-furan benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.483?(2)?Å, inter-planar distance = 3.416?(2)?Å and slippage = 0.680?(2)?Å].

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3-(4-Chloro-phenyl-sulfin-yl)-2,4,7-tri-meth-yl-1-benzo-furan.

Project description:In the title compound, C17H15ClO2S, the dihedral angle between the mean plane [r.m.s. deviation = 0.020?(2)?Å] of the benzo-furan ring system and the mean plane [r.m.s. deviation = 0.011?(1)?Å] of the 4-chloro-phenyl ring is 72.68?(6)°. In the crystal, mol-ecules are linked via pairs of C-H?? inter-actions into inversion dimers. These dimers are further packed by C-H?O hydrogen bonds into supra-molecular chains running along the a-axis direction. In addition, the crystal structure also exhibits ?-? inter-actions between the 4-chloro-phenyl rings of adjacent mol-ecules [centroid-centroid distance = 4.094?(3)?Å, inter-planar distance = 3.648?(3)?Å and slippage = 1.656?(3)?Å].

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5-Cyclo-hexyl-2-methyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzofuran.

Project description:In the title compound, C(22)H(24)O(2)S, the cyclo-hexyl ring adopts a chair conformation. The 4-methyl-phenyl ring makes a dihedral angle of 81.60 (5)° 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 hydrogen bonds and weak π-π inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.545 (2) Å, inter-planar distance = 3.489 (2) Å and slippage = 0.628 (2) Å.

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Project description:In the title compound, C(17)H(15)FO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 86.89?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds. The crystal structure also exhibits a slipped ?-? inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.719?(2)?Å, inter-planar distance = 3.475?(2)?Å and slippage = 1.325?Å].

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

Project description:In the title compound, C(15)H(10)BrClO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 86.85?(6)° with the mean plane [mean deviation = 0.009?(2)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by slipped ?-? inter-actions between the benzene and the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.884?(2), inter-planar distance = 3.369?(2) and slippage = 1.945?(2)?Å], and between the 4-bromo-phenyl rings of adjacent mol-ecules [centroid-centroid distance = 3.882?(2), inter-planar distance = 3.552?(2) and slippage = 1.566?(2)?Å]. A Br?Br [3.6446?(4)?Å] halogen inter-action is also observed.

2012-01-01 | S-EPMC3393896 | BioStudies

5-Bromo-2,4,6-trimethyl-3-(3-methyl-phenyl-sulfin-yl)-1-benzo-furan.

Project description:In the title compound, C18H17BrO2S, the dihedral angle between the mean plane of the benzo-furan ring system and the benzene ring is 68.58?(4)°. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds into inversion dimers. These dimers are linked by C-H?O hydrogen bonds and ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.783?(1)?Å], forming a three-dimensional network. In addition, the stacked mol-ecules exhibit inversion-related S?O contacts [3.153?(1)?Å] involving the sulfinyl groups.

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3-(4-Bromo-phenyl-sulfin-yl)-5-cyclo-hexyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(21)H(21)BrO(2)S, the cyclohexyl ring adopts a chair conformation. The 4-bromo-phenyl ring makes a dihedral angle of 81.62?(6)° with the mean plane 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 a slipped ?-? inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distances = 3.540?(3)?Å, inter-planar distance = 3.481?(3)?Å and slippage = 0.644?(3)?Å].

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3-(3-Fluoro-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)FO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 78.38?(4)° with the mean plane 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 a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distances = 3.628?(2)?Å, inter-planar distance = 3.417?(2)?Å and slippage = 1.219?(2)?Å].

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5-Iodo-2-methyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzofuran.

Project description:In the title compound, C(16)H(13)IO(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 88.36?(7)° with the mean plane [r.m.s. deviation = 0.006?(2)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds and an I?O contact [3.103?(2)?Å]. The crystal structure also exhibits slipped ?-? inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.659?(2)?Å].

2012-01-01 | S-EPMC3414315 | BioStudies

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