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5-Cyclo-pentyl-2-(4-methyl-phen-yl)-3-methyl-sulfinyl-1-benzofuran.


ABSTRACT: In the title compound, C(21)H(22)O(2)S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The benzofuran unit is essentially planar, with a mean deviation from the least-squares plane defined by the nine constituent ring atoms of 0.008?(2)?Å. In the crystal, mol-ecules are linked via pairs of C-H?? inter-actions, forming inversion dimers. In the ring of the 4-methyl-phenyl group, four C atoms and their attached H atoms are disordered over two sets of sites, with site-ccupancy factors of 0.899?(5) and 0.10.

SUBMITTER: Choi HD 

PROVIDER: S-EPMC3515229 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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5-Cyclo-pentyl-2-(4-methyl-phen-yl)-3-methyl-sulfinyl-1-benzofuran.

Choi Hong Dae HD   Seo Pil Ja PJ   Lee Uk U  

Acta crystallographica. Section E, Structure reports online 20121013 Pt 11


In the title compound, C(21)H(22)O(2)S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The benzofuran unit is essentially planar, with a mean deviation from the least-squares plane defined by the nine constituent ring atoms of 0.008 (2) Å. In the crystal, mol-ecules are linked via pairs of C-H⋯π inter-actions, forming inversion dimers. In the ring of the 4-methyl-phenyl group, four C atoms and their attached H atoms are disordered ov  ...[more]

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