3-(4-Bromophenylsulfonyl)-5-cyclohexyl-2-methyl-1-benzofuran

In the title compound, C21H21BrO3S, the cyclohexyl ring adopts a chair conformation. The 4-bromophenyl ring makes a dihedral angle of 80.88 (6)° with the mean plane of the benzofuran fragment. An intramolecular C—H...O hydrogen bond is formed between an O ato...

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Bibliographic Details
Main Authors: Hong Dae Choi, Pil Ja Seo, Uk Lee
Format: Article
Language:English
Published: International Union of Crystallography 2012-02-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812001791
Description
Summary:In the title compound, C21H21BrO3S, the cyclohexyl ring adopts a chair conformation. The 4-bromophenyl ring makes a dihedral angle of 80.88 (6)° with the mean plane of the benzofuran fragment. An intramolecular C—H...O hydrogen bond is formed between an O atom of the sulfonyl group and one H atom of the aromatic ring such that a five-membered ring is formed. The crystal packing is stabilized by an intermolecular C—H...O hydrogen bond, which links the molecules into chains with graph-set notation C(6) running parallel to the c axis, and π–π stacking interactions [centroid–centroid distance = 3.6129 (12) Å].
ISSN:1600-5368