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

ABSTRACT: 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].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3344175 | BioStudies | 2012-01-01T00:00:00Z

REPOSITORIES: biostudies

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2-Methyl-1-(3-methyl-phenyl-sulfon-yl)naphtho-[2,1-b]furan.

Project description:In the title compound, C20H16O3S, the dihedral angle between the mean planes of the naphtho-furan and 3-methyl-phenyl fragments is 88.56?(2)°. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds, forming inversion dimers. These dimers are linked by ?-? inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.701?(2)?Å] into supra-molecular chains running along the a-axis direction.

1000-01-01 | S-EPMC3998563 | BioStudies

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

Project description:In the title compound, C(19)H(13)BrO(3)S, the 4-bromo-phenyl ring makes a dihedral angle of 64.11?(2)° with the mean plane [r.m.s. deviation = 0.01?(2)?Å] of the naphtho-furan ring. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions. The crystal structure also exhibits slipped ?-? inter-actions between the central naphtho-furan benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.559?(2), slippage = 1.036?(2)?Å], and between the central naphtho-furan benzene ring and the furan ring of neighbouring mol-ecules [centroid-centroid distance = 3.655?(2), slippage = 1.136?(2)?Å].

2012-01-01 | S-EPMC3414189 | 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?? inter-actions into inversion-related dimers. These dimers are further linked by ?-? 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).

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

Project description:In the title compound, C18H17BrO2S, the dihedral angle between the methyl-phenyl ring and the mean plane of the benzo-furan rung system is 87.0?(2)°. In the crystal, mol-ecules related by inversion are paired into dimers via C-H?O and C-H?? inter-actions. 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 distance = 3.555?(5)?Å], resulting in a three-dimensional supra-molecular network.

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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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1000-01-01 | S-EPMC4571419 | BioStudies

2-Methyl-1-(4-methyl-phenyl-sulfinyl)naphtho-[2,1-b]furan.

Project description:In the title compound, C(20)H(16)O(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 82.60?(4)° with the mean plane [r.m.s. deviation = 0.007?(1)?Å] of the naphtho-furan fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds, and by a slipped ?-? inter-action between the central naphtho-furan benzene rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.671?(2)?Å, inter-planar distance = 3.349?(2)?Å and slippage = 1.503?(2)°].

1000-01-01 | S-EPMC3275285 | 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].

1000-01-01 | S-EPMC3884416 | BioStudies

7-Bromo-1-(3-fluoro-phenyl-sulfon-yl)-2-methyl-naphtho-[2,1-b]furan.

Project description:In the title compound, C(19)H(12)BrFO(3)S, the 3-fluoro-phenyl ring makes a dihedral angle of 80.85?(5)° with the mean plane [r.m.s. deviation = 0.009?(2)Å] of the naphtho-furan fragment. In the crystal, mol-ecules are linked by slipped ?-? inter-actions between the furan and the outer benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.756?(3)?Å and slippage of 1.189?(3)?Å].

2012-01-01 | S-EPMC3470396 | BioStudies

3-(2-Bromo-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzo-furan.

Project description:In the title compound, C17H15BrO2S, both the benzo-furan and 2-bromo-phenyl rings are virtually planar, with r.m.s. deviations of 0.009?(2) and 0.006?(2)?Å, respectively. The dihedral angle between these mean planes is 89.31?(7)°. In the crystal, mol-ecules are linked via pairs of C-H?? inter-actions into inversion dimers. These dimers are further linked by C-H?? inter-actions into supra-molecular chains running along the b axis. In addition, C-S?? inter-actions, with an S-to-ring-centroid distance of 3.50?(2)?Å, are observed between inversion-related dimers.

1000-01-01 | S-EPMC3793790 | BioStudies

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