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3-Cyclo-pentyl-sulfonyl-5-fluoro-2-methyl-1-benzofuran.


ABSTRACT: There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(14)H(15)FO(3)S, in each of which the cyclo-pentyl ring adopts an envelope conformation. The benzofuran units in each mol-ecule are essentially planar, with mean deviations from the least-squares plane defined by the nine constituent ring atoms of 0.009?(2)?Å for mol-ecule A and 0.013?(2)?Å for mol-ecule B. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds. In the cyclo-pentyl ring of mol-ecule B, one C atom is disordered over two positions with site-occupancy factors of 0.60?(2) and 0.40?(2).

SUBMITTER: Seo PJ 

PROVIDER: S-EPMC3152135 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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3-Cyclo-pentyl-sulfonyl-5-fluoro-2-methyl-1-benzofuran.

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

Acta crystallographica. Section E, Structure reports online 20110618 Pt 7


There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C(14)H(15)FO(3)S, in each of which the cyclo-pentyl ring adopts an envelope conformation. The benzofuran units in each mol-ecule are essentially planar, with mean deviations from the least-squares plane defined by the nine constituent ring atoms of 0.009 (2) Å for mol-ecule A and 0.013 (2) Å for mol-ecule B. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds. In the cyclo-pentyl ring of m  ...[more]

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