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

ABSTRACT: In the title compound, C(19)H(12)BrFO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the naphthofuran fragment. The 4-fluoro-phenyl ring is rotated out of the naphthofuran plane, making a dihedral angle of 41.65?(7)°. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?? inter-actions, and a short Br?F contact [3.046?(2)?Å] occurs. The O atom of the sulfinyl group is disordered over two positions, with refined site-occupancy factors of 0.912?(4) and 0.088?(4).

PROVIDER: S-EPMC2979164 | BioStudies | 2010-01-01T00:00:00Z

REPOSITORIES: biostudies

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

Project description:In the title compound, C(24)H(15)BrO(2)S, the sulfinyl O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane through the naphthofuran fragment. The phenyl ring is nearly perpendicular to the plane of the tricyclic naphthofuran system [81.77?(6)°] and is tilted slightly towards it. The 4-bromo-phenyl ring is rotated out of the naphthofuran plane by a dihedral angle of 31.12?(4)°. In the crystal structure, non-classical inter-molecular C-H?O and C-H?Br hydrogen bonds are observed. The crystal structure also exhibits aromatic ?-? inter-actions between the furan ring and the central benzene ring of the adjacent naphthofuran system [centroid-centroid distance = 3.768?(3)?Å]. In addition, inter-molecular C-Br?? inter-actions [3.866?(2)?Å] between the Br atom and the phenyl ring of the phenyl-sulfinyl substituent are present.

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2-Phenyl-3-(phenyl-sulfin-yl)naphtho[1,2-b]furan.

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7-Bromo-2-phenyl-1-(phenyl-sulfin-yl)naphtho[2,1-b]furan benzene hemisolvate.

Project description:The title compound, C(24)H(15)BrO(2)S·0.5C(6)H(6), crystallizes as a benzene hemisolvate. The O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the naphthofuran fragment, and the phenyl ring is almost perpendicular to the plane of the naphthofuran fragment [83.78?(8)°] and is tilted slightly towards it. The 2-phenyl ring is rotated out of the naphthofuran plane by a dihedral angle of 25.2?(1)°. The crystal structure is stabilized by aromatic ?-? inter-actions between the central benzene ring and the furan ring of the neighbouring naphthofuran systems [centroid-centroid distance = 3.611?(3)?Å], and by inter-molecular C-H?? inter-actions between the benzene H atom of the phenyl-sulfinyl substituent and the 2-phenyl ring of an adjacent mol-ecule. In addition, the crystal structure exhibits a weak non-classical inter-molecular C-H?O hydrogen bond.

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2-Phenyl-1-(phenyl-sulfin-yl)naphtho[2,1-b]furan.

Project description:In the title compound, C(24)H(16)O(2)S, the O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the naphthofuran fragment; the phenyl ring is almost perpendicular to this plane [82.34?(5)°]. The 2-phenyl ring is rotated out of the naphthofuran plane making a dihedral angle of 48.21?(6)°. The crystal structure shows ?-? inter-actions between the central benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.516?(3)?Å], as well as non-classical C-H?O hydrogen bonds.

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

Project description:In the title compound, C(15)H(10)BrFO(2)S, the O atom and the 4-fluoro-phenyl group of the 4-fluoro-phenyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment; the 4-fluoro-phenyl ring is approximately perpendicular to this plane [dihedral angle = 89.38?(6)°]. In the crystal, mol-ecules are linked by a Br?Br contact [3.4816?(5)?Å], and weak inter-molecular C-S?? [3.499?(2)?Å] and C-F?? [3.535?(2)?Å] inter-actions.

| S-EPMC2979595 | BioStudies

5-Bromo-2-(4-fluoro-phen-yl)-7-methyl-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(16)H(12)BrFO(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, as indicated by the dihedral angle of 16.17?(5)°. The crystal structure exhibits an inter-molecular C-H?O hydrogen bond and a Br?O halogen inter-action [3.112?(2)?Å].

2009-01-01 | S-EPMC2980175 | BioStudies

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

Project description:In the title compound, C(15)H(10)BrFO(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, as indicated by a dihedral angle of 26.23?(5)°. The crystal structure is stabilized by a non-classical inter-molecular C-H?O hydrogen bond and a Br?O halogen bond [3.163?(2)?Å].

| S-EPMC2980067 | BioStudies

7-Bromo-1-methyl-sulfinyl-2-phenyl-naphtho[2,1-b]furan.

Project description:In the title compound, C(19)H(13)BrO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the naphthofuran unit. The phenyl ring is rotated out of the naphthofuran plane, making a dihedral angle of 42.2?(1)°. The crystal structure is stabilized by two inter-molecular C-H?? inter-actions, and by non-classical inter-molecular C-H?O and C-H?Br hydrogen bonds.

| S-EPMC2977132 | BioStudies

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

Project description:In the title compound, C(15)H(10)BrFO(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-bromo-phenyl ring is rotated out of the benzofuran plane [dihedral angle = 38.98?(8)°], while the structure is stabilized by an inter-molecular C-H?O hydrogen bond and a Br?O halogen bond [3.036?(2)?Å] and has an inter-molecular C-H?? inter-action between the 4-bromo-phenyl H atom and the benzene ring of an adjacent benzofuran mol-ecule, as well as aromatic ?-? inter-actions between the benzene rings of the benzofuran systems [centroid-centroid distance = 3.482?(3)?Å].

| S-EPMC2970042 | BioStudies

Isoamyl 2-(5-bromo-3-methyl-sulfin-yl-1-benzofuran-2--yl)acetate.

Project description:In the title compound, C(16)H(19)BrO(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure exhibits aromatic ?-? inter-actions between the benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.643?(2)?Å] and nonclassical C-H?O hydrogen bonds.

2009-01-01 | S-EPMC2969326 | BioStudies

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