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

ABSTRACT: 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.

PROVIDER: S-EPMC2977132 | BioStudies |

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.

| S-EPMC2977400 | BioStudies

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.

| S-EPMC2977353 | BioStudies

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

Project description: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).

2010-01-01 | S-EPMC2979164 | BioStudies

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

Project description:The title compound, C(20)H(15)BrO(3)S, was prepared by the oxidation of 7-bromo-2-methyl-1-(4-tolyl-sulfan-yl)naph-tho[2,1-b]furan with 3-chloro-peroxy-benzoic acid. The 4-tolyl ring makes a dihedral angle of 70.96?(6)° with the plane of the naphthofuran fragment. The crystal structure is stabilized by aromatic ?-? stacking inter-actions, with centroid-centroid distances of 3.672?(3) and 3.858?(3)?Å between the central benzene and furan rings, and between the brominated benzene and central benzene rings of the naphthofuran system of neighbouring mol-ecules, respectively. In addition, the stacked mol-ecules exhibit C-H?? and inter- and intra-molecular C-H?O inter-actions.

| S-EPMC2961428 | BioStudies

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

Project description:The title compound, C(19)H(13)BrO(3)S, was prepared by the oxidation of 7-bromo-2-methyl-1-(phenyl-sulfan-yl)naph-tho[2,1-b]furan with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 80.4?(2)° with the plane of the naphthofuran fragment. The crystal structure is stabilized by aromatic ?-? stacking inter-actions between the brominated benzene ring and the central benzene ring of the naphthofuran system of neighbouring mol-ecules; the centroid-centroid distances within the stack are 3.889?(3) and 3.981?(3)?Å. In addition, the stacked mol-ecules exhibit C-H??, inter- and intra-molecular C-H?O inter-actions.

| S-EPMC2961282 | BioStudies

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.

| S-EPMC2969545 | BioStudies

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

Project description:The title compound, C(19)H(14)O(3)S, was prepared by the oxidation of 2-methyl-1-(phenyl-sulfan-yl)naphtho[2,1-b]furan with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 87.13?(4)° with the plane of the naphthofuran fragment. The crystal structure is stabilized by ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.850?(2)?Å] and weak C-H?? inter-actions. In addition, there are also intra-molecular C-H?O inter-actions.

| S-EPMC2961025 | BioStudies

1-Cyclo-hexyl-sulfinyl-2-methyl-naphtho-[2,1-b]furan.

Project description:In the title compound, C(19)H(20)O(2)S, the cyclo-hexyl ring adopts a chair conformation and the aryl-sulfinyl unit is positioned equatorial relative to the cyclo-hexyl group. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O hydrogen bonds. The O atom of the sulfinyl group is disordered over two orientations with site-occupancy factors of 0.923?(3) and 0.077?(3).

| S-EPMC3100045 | BioStudies

7-Bromo-1-(4-chloro-phenyl-sulfan-yl)-2-phenyl-naphtho[2,1-b]furan.

Project description:In the title compound, C(24)H(14)BrClOS, the S-bound 4-chloro-phenyl ring is nearly perpendicular to the plane of the naphthofuran fragment [dihedral angle = 83.34?(3)°] and the phenyl ring in the 2-position is rotated out of the naphthofuran plane by a dihedral angle of 15.23?(5)°. The crystal structure is stabilized by aromatic ?-? inter-actions between the furan and the central benzene rings of the neighbouring naphthofuran fragments, and between the outer benzene rings of the neighbouring naphthofuran fragments; the centroid-centroid distances within the stack are 3.879?(2) and 3.857?(2)?Å. In addition, inter-molecular C-Cl?? inter-actions [3.505?(2)?Å] between the Cl atom and the 2-phenyl ring are present.

| S-EPMC2980269 | BioStudies

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

| S-EPMC2969341 | BioStudies

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