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

ABSTRACT: In the title compound, C(14)H(15)ClO(4)S, the S atom has a distorted trigonal-pyramidal coordination. The O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the benzofuran ring system. The crystal structure is stabilized by intermolecular aromatic ?-? interactions between the benzene rings of neighbouring molecules [centroid-centroid distance = 4.057?(3)?Å], and by C-H?? interactions between a methyl H atom and the benzene ring of an adjacent molecule.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2967855 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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

Choi Hong Dae HD Seo Pil Ja PJ Son Byeng Wha BW Lee Uk U

Acta crystallographica. Section E, Structure reports online 20081203 Pt 1

In the title compound, C(14)H(15)ClO(4)S, the S atom has a distorted trigonal-pyramidal coordination. The O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the benzofuran ring system. The crystal structure is stabilized by intermolecular aromatic π-π interactions between the benzene rings of neighbouring molecules [centroid-centroid distance = 4.057 (3) Å], and by C-H⋯π interactions between a methyl H atom and the benzene ring of an adjacent molecule. ...[more]

PMID: 21581673

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

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