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5-Iodo-7-methyl-3-methyl-sulfinyl-2-phenyl-1-benzofuran.

Choi HD, Seo PJ, Kim BK, Son BW, Lee U - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The title compound, C(16)H(13)IO(2)S, was prepared by the oxidation of 5-iodo-7-methyl-3-methyl-sulfanyl-2-phenyl-1-benzofuran with 3-chloro-peroxy-benzoic acid.The phenyl ring makes a dihedral angle of 27.17 (9)° with the plane of the benzofuran fragment, with the O atom and the methyl group of the methyl-sulfinyl substituent lying on opposite sides of this plane.The crystal structure exhibits inter-molecular C-H⋯I inter-actions, and an I⋯O halogen bond of 3.107 (2) Å with a nearly linear C-I⋯O angle of 173.73 (6)°.

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ABSTRACT
The title compound, C(16)H(13)IO(2)S, was prepared by the oxidation of 5-iodo-7-methyl-3-methyl-sulfanyl-2-phenyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 27.17 (9)° with the plane of the benzofuran fragment, with the O atom and the methyl group of the methyl-sulfinyl substituent lying on opposite sides of this plane. The crystal structure exhibits inter-molecular C-H⋯I inter-actions, and an I⋯O halogen bond of 3.107 (2) Å with a nearly linear C-I⋯O angle of 173.73 (6)°.

No MeSH data available.


C—H···I interaction and I···O halogen bond (dotted lines) in the title compound. [Symmetry code: (i) -x, -y+1, -z.]
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Fap2: C—H···I interaction and I···O halogen bond (dotted lines) in the title compound. [Symmetry code: (i) -x, -y+1, -z.]


5-Iodo-7-methyl-3-methyl-sulfinyl-2-phenyl-1-benzofuran.

Choi HD, Seo PJ, Kim BK, Son BW, Lee U - Acta Crystallogr Sect E Struct Rep Online (2008)

C—H···I interaction and I···O halogen bond (dotted lines) in the title compound. [Symmetry code: (i) -x, -y+1, -z.]
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961360&req=5

Fap2: C—H···I interaction and I···O halogen bond (dotted lines) in the title compound. [Symmetry code: (i) -x, -y+1, -z.]
Bottom Line: The title compound, C(16)H(13)IO(2)S, was prepared by the oxidation of 5-iodo-7-methyl-3-methyl-sulfanyl-2-phenyl-1-benzofuran with 3-chloro-peroxy-benzoic acid.The phenyl ring makes a dihedral angle of 27.17 (9)° with the plane of the benzofuran fragment, with the O atom and the methyl group of the methyl-sulfinyl substituent lying on opposite sides of this plane.The crystal structure exhibits inter-molecular C-H⋯I inter-actions, and an I⋯O halogen bond of 3.107 (2) Å with a nearly linear C-I⋯O angle of 173.73 (6)°.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(16)H(13)IO(2)S, was prepared by the oxidation of 5-iodo-7-methyl-3-methyl-sulfanyl-2-phenyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 27.17 (9)° with the plane of the benzofuran fragment, with the O atom and the methyl group of the methyl-sulfinyl substituent lying on opposite sides of this plane. The crystal structure exhibits inter-molecular C-H⋯I inter-actions, and an I⋯O halogen bond of 3.107 (2) Å with a nearly linear C-I⋯O angle of 173.73 (6)°.

No MeSH data available.