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3-(2-Oxo-2,3,4,5-tetra-hydro-furan-3-yl)-1-benzofuran-2-carbonitrile.

ABSTRACT: The asymmetric unit of the title compound, C(13)H(9)NO(3), consists of two crystallographically independent mol-ecules. In each mol-ecule, the tetra-hydro-furan (THF) ring adopts an envelope conformation with one of the methyl-ene 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, mol-ecules 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 inter-actions.

SUBMITTER: Okuda K

PROVIDER: S-EPMC3435843 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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3-(2-Oxo-2,3,4,5-tetra-hydro-furan-3-yl)-1-benzofuran-2-carbonitrile.

Okuda Kensuke K Hirota Takashi T Nishina Yuta Y Ishida Hiroyuki H

Acta crystallographica. Section E, Structure reports online 20120831 Pt 9

The asymmetric unit of the title compound, C(13)H(9)NO(3), consists of two crystallographically independent mol-ecules. In each mol-ecule, the tetra-hydro-furan (THF) ring adopts an envelope conformation with one of the methyl-ene 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, mol-ecules are stacked in a column along the a-axis direction through C-H⋯O hydrogen bonds, with columns f ...[more]

PMID: 22969689

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