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Synthesis and crystal structure of tert-butyl 1-(2-iodo-benzo-yl)cyclo-pent-3-ene-1-carboxyl-ate.

ABSTRACT: 1-(2-Iodo-benzo-yl)-cyclo-pent-3-ene-1-carboxyl-ates are novel substrates to construct bi-cyclo-[3.2.1]octa-nes with anti-bacterial and anti-thrombotic activities. In this context, tert-butyl 1-(2-iodo-benzo-yl)-cyclo-pent-3-ene-1-carboxyl-ate, C17H19IO3, was synthesized and structurally characterized. The 2-iodo-benzoyl group is attached to the tertiary C atom of the cyclo-pent-3-ene ring. The dihedral angle between the benzene ring and the mean plane of the envelope-type cyclo-pent-3-ene ring is 26.0?(3)°. In the crystal, pairs of C-H?O hydrogen bonds link the mol-ecules to form inversion dimers.

SUBMITTER: Yin D 

PROVIDER: S-EPMC6727060 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature

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Synthesis and crystal structure of <i>tert</i>-butyl 1-(2-iodo-benzo-yl)cyclo-pent-3-ene-1-carboxyl-ate.

Yin Dejing D  

Acta crystallographica. Section E, Crystallographic communications 20190830 Pt 9

1-(2-Iodo-benzo-yl)-cyclo-pent-3-ene-1-carboxyl-ates are novel substrates to construct bi-cyclo-[3.2.1]octa-nes with anti-bacterial and anti-thrombotic activities. In this context, <i>tert</i>-butyl 1-(2-iodo-benzo-yl)-cyclo-pent-3-ene-1-carboxyl-ate, C<sub>17</sub>H<sub>19</sub>IO<sub>3</sub>, was synthesized and structurally characterized. The 2-iodo-benzoyl group is attached to the tertiary C atom of the cyclo-pent-3-ene ring. The dihedral angle between the benzene ring and the mean plane of  ...[more]

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