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

ABSTRACT: 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].

PROVIDER: S-EPMC3275052 | BioStudies |

REPOSITORIES: biostudies

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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].

| S-EPMC3275274 | BioStudies

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].

| S-EPMC3884416 | BioStudies

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].

| S-EPMC3343924 | BioStudies

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

(E)-6-(4-Chloro-phen-yl)-4-[(2-cyano-3-phenyl-all-yl)sulfan-yl]-2,2-difluoro-3-phenyl-1,3,2-oxaza-borinin-3-ium-2-uide.

Project description:In the title compound, C25H18BClF2N2OS, the characteristic B-N and B-O bond lengths are 1.571?(3) and 1.458?(3)?Å, respectively. The phenyl rings form dihedral angles of 83.1?(1) and 64.6?(1)° with the chloro-phenyl ring. In the crystal, weak C-H?N, C-H?F, C-H?? and ?-? inter-actions [centroid-centroid distances 3.877?(6)?Å between the chloro-phenyl rings of neighbouring mol-ecules] held mol-ecules together, forming ladders along the b axis.

2013-01-01 | S-EPMC3647846 | BioStudies

3-(4-Bromo-phenyl-sulfin-yl)-2,5-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(13)BrO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 87.87?(6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by a weak ?-? inter-action between the 4-bromo-phenyl rings [centroid-to-centroid distance = 3.907?(3)?Å, inter-planar distance = 3.528?(3)?Å and slippage = 1.679?(3)?Å].

2012-01-01 | S-EPMC3297310 | BioStudies

3-(3-Fluoro-phenyl-sulfin-yl)-5-iodo-2,7-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(12)FIO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 76.47?(6)° with the mean plane [r.m.s. deviation = 0.013?(2)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds,forming chains along the b-axis direction, and an I?O contact [3.204?(2)?Å]. The crystal structure also exhibits slipped ?-? inter-actions between the 3-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.683?(3)?Å and slippage = 1.708?(3)?Å].

| S-EPMC3470246 | BioStudies

3-(4-Chloro-phenyl-sulfin-yl)-2,5,7-tri-methyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)ClO(2)S, the O atom and the 4-chloro-phenyl group of the 4-chloro-phenyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment; the 4-chloro-phenyl ring is approximately perpendicular to this plane [dihedral angle = 87.12?(3)°]. In the crystal structure, mol-ecules are linked through a weak inter-molecular C-H?O hydrogen bond, and by weak C-S?? [3.394?(2)?Å] and C-Cl?? [3.800?(2)?Å] inter-actions.

2010-01-01 | S-EPMC3008089 | BioStudies

Crystal structure of 2-ethyl-3-(4-fluoro-phenyl-sulfin-yl)-5,7-dimethyl-1-benzo-furan.

Project description:In the title compound, C18H17FO2S, the dihedral angle between the planes of the benzo-furan ring system (r.m.s. deviation = 0.004 Å) and the 4-fluoro-phenyl ring is 86.38 (6)°. The terminal C atom of the ethyl substituent is displaced by 1.444 (3) Å from the benzo-furan ring system to the same side of the mol-ecule as the 4-fluoro-phenyl ring. In the crystal, mol-ecules are linked via pairs of C-H⋯π inter-actions into inversion-related dimers. These dimers are further linked by π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.715 (3) Å] and between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.598 (3) Å]. The mol-ecules are stacked along the a-axis direction. In the sulfinyl group, the S and O atoms are disordered over two sets of sites, with site-occupancy factors of 0.797 (3) and 0.213 (3).

| S-EPMC4186098 | BioStudies

3-(3-Fluoro-phenyl-sulfin-yl)-2,5,7-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 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].

| S-EPMC3120630 | BioStudies

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