Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 9 (September 2012)


organic compounds



gg2098 scheme

Acta Cryst. (2012). E68, o2819    [ doi:10.1107/S1600536812036835 ]

3-(2-Oxo-2,3,4,5-tetrahydrofuran-3-yl)-1-benzofuran-2-carbonitrile

K. Okuda, T. Hirota, Y. Nishina and H. Ishida

Abstract: The asymmetric unit of the title compound, C13H9NO3, consists of two crystallographically independent molecules. In each molecule, the tetrahydrofuran (THF) ring adopts an envelope conformation with one of the methylene C atoms positioned at the flap. The dihedral angles between the mean plane of the THF and the benzofuran ring system are 70.85 (5) and 89.59 (6)°. In the crystal, molecules are stacked in a column along the a-axis direction through C-H...O hydrogen bonds, with columns further linked by C-H...N and C-H...O interactions.


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