Crystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate

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Date
2015
Volume
E71
Issue
Journal
Series Titel
Book Title
Publisher
Chester : International Union of Crystallography
Abstract

The title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The mol­ecule consists of a diethyl itaconate unit, which is connected via the C=C double bond to a benzo­furan moiety. The benzo­furan ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through the cis and trans eth­oxy­carbonyl groups, respectively. An intra­molecular C-H...O hydrogen bond involving the O atom of the benzo­furan moiety is observed. In the crystal, mol­ecules are linked into ribbons running parallel to the b axis by C-H...O hydrogen bonds.

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Keywords
benzofuran, crystal structure, diene, hydrogen bonding, Wittig reaction
Citation
Schirmer, M.-L., Spannenberg, A., & Werner, T. (2015). Crystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate. E71. https://doi.org//10.1107/S2056989015019313
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License
CC BY 2.0 UK