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3-Methyl-sulfinyl-2-phenyl-1-benzofuran.

ABSTRACT: The title compound, C(15)H(12)O(2)S, was prepared by the oxidation of 3-methyl-sulfanyl-2-phenyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 37.65?(8)° with the plane of the benzofuran fragment. The O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran ring system. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.549?(2)?Å] and by inter-molecular C-H?O inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2960582 | BioStudies | 2008-01-01T00:00:00Z

REPOSITORIES: biostudies

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2-Methyl-3-phenyl-sulfinyl-1-benzofuran.

Project description:The title compound, C(15)H(12)O(2)S, was prepared by the oxidation of 2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran system. The phenyl ring makes a dihedral angle of 78.76?(4)° with the benzofuran mean plane. The crystal structure is stabilized by ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 4.017?(3)?Å]. In addition, the crystal structure exhibits inter-molecular C-H?? and C-H?O inter-actions.

2008-01-01 | S-EPMC2962107 | BioStudies

5-Ethyl-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(17)H(16)O(3)S, was prepared by the oxidation of 5-ethyl-2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 75.94?(8)° with the plane of the benzofuran fragment. The crystal structure is stabilized by ?-? inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.620?(4)?Å]. In addition, the crystal structure exhibits C-H?? inter-actions.

1000-01-01 | S-EPMC2961571 | BioStudies

5-Isopropyl-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(18)H(18)O(3)S, was prepared by the oxidation of 5-isopropyl-2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 79.37?(6)° with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic ?-? stacking inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.762?(3)?Å]. In addition, the stacked mol-ecules exhibit C-H?? and intra-molecular C-H?O inter-actions.

2008-01-01 | S-EPMC2961705 | BioStudies

5-Chloro-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(15)H(11)ClO(3)S, was prepared by the oxidation of 5-chloro-2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. There are two symmetry-independent mol-ecules in the asymmetric unit. The dihedral angles formed by the phenyl ring and the plane of the benzofuran system are 77.80?(8) and 78.34?(8)°. The crystal structure is stabilized by aromatic ?-? stacking inter-actions between the furan ring and the benzene rings of neighbouring benzofuran fragments from two symmetry-independent mol-ecules; the centroid-centroid distances within the stacks are 3.689?(4), 3.702?(4), 3.825?(4) and 3.826?(4)?Å. Additionally, the stacked mol-ecules exhibit inter- and intra-molecular C-H?O inter-actions.

1000-01-01 | S-EPMC2961728 | BioStudies

2,5,7-Trimethyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(17)H(16)O(3)S, was prepared by the oxidation of 2,5,7-trimethyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring exhibits a dihedral angle of 81.16?(4)° with the plane of the benzofuran fragment. The crystal structure is stabilized by ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.874?(2)?Å] and by C-H?? inter-actions between a phenyl H atom of the phenyl-sulfonyl substituent and the furan ring of adjacent mol-ecules. In addition, the crystal structure exhibits intra- and inter-molecular C-H?O inter-actions.

1000-01-01 | S-EPMC2961306 | BioStudies

2,5-Dimethyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(16)H(14)O(3)S, was prepared by the oxidation of 2,5-dimethyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 76.98?(9)° with the plane of the benzofuran fragment. The crystal structure is stabilized by ?-? inter-actions between furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.775?(4)?Å]. In addition, the crystal structure exhibits intra- and inter-molecular C-H?O inter-actions.

1000-01-01 | S-EPMC2961094 | BioStudies

2-Methyl-3-phenyl-sulfonyl-5-propyl-1-benzofuran.

Project description:The title compound, C(18)H(18)O(3)S, was prepared by the oxidation of 2-methyl-3-phenyl-sulfanyl-5-propyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 81.74?(6)° with the plane of the benzofuran fragment. The crystal structure is stabilized by C-H?? inter-actions between a methyl H atom and the phenyl ring of the phenyl-sulfonyl substituent from a neighbouring mol-ecule, and by inter-molecular C-H?O inter-actions.

1000-01-01 | S-EPMC2960507 | BioStudies

Methyl 2-(5-methyl-3-methyl-sulfinyl-1-benzofuran-2-yl)acetate.

Project description:The title compound, C(13)H(14)O(4)S, was prepared by oxidation of methyl 2-(5-methyl-3-methyl-sulfanyl-1-benzofuran-2-yl)acetate with 3-chloro-peroxy-benzoic acid. The O atom and methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran system. The crystal structure is stabilized by inter-molecular aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules, with a centroid-centroid separation of 3.841?(3)?Å.

1000-01-01 | S-EPMC2960547 | BioStudies

5-Bromo-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(15)H(11)BrO(3)S, was prepared by the oxidation of 5-bromo-2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 78.99?(8)° with the plane of the benzofuran fragment. The crystal structure is stabilized by C-H?? inter-actions between a benzene H atom of the benzofuran unit and the phenyl ring of the phenyl-sulfonyl substituent from a neighbouring mol-ecule. In addition, the crystal structure exhibits intra- and inter-molecular C-H?O inter-actions.

1000-01-01 | S-EPMC2961177 | BioStudies

Methyl 2-(5-chloro-3-methyl-sulfinyl-1-benzofuran-2-yl)acetate.

Project description:The title compound, C(12)H(11)ClO(4)S, was prepared by the oxidation of methyl 2-(5-chloro-3-methyl-sulfanyl-1-benzofuran-2-yl)acetate with 3-chloro-peroxy-benzoic acid. 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 is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.809?(2)?Å], and by C-H?? inter-actions between a methyl H atom and the furan ring of an adjacent mol-ecule. In addition, the crystal structure exhibits inter-molecular C-H?O hydrogen bonds.

1000-01-01 | S-EPMC2959551 | BioStudies

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