0000000000810848

AUTHOR

Marie-luis Schirmer

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

2015

The title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connectedviathe 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 thecisandtransethoxycarbonyl 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 thebaxis by C—H...O hydrogen bonds.

chemistry.chemical_classificationcrystal structureCrystallographyDouble bondChemistryStereochemistryHydrogen bondbenzofuranGeneral ChemistryDihedral anglebenzo­furanCondensed Matter PhysicsRing (chemistry)hydrogen bondingMedicinal chemistryData Reportsdienechemistry.chemical_compoundQD901-999FuranWittig reactionMoietyGeneral Materials ScienceWittig reactionCis–trans isomerismActa Crystallographica Section E: Crystallographic Communications
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