6533b834fe1ef96bd129e0ec

RESEARCH PRODUCT

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

Anke SpannenbergThomas WernerMarie-luis Schirmer

subject

chemistry.chemical_classificationcrystal structureCrystallographyDouble bondChemistryStereochemistryHydrogen bondbenzofuranGeneral ChemistryDihedral anglebenzo­furanCondensed Matter PhysicsRing (chemistry)hydrogen bondingMedicinal chemistryData Reportsdienechemistry.chemical_compoundQD901-999FuranWittig reactionMoietyGeneral Materials ScienceWittig reactionCis–trans isomerism

description

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.

yearjournalcountryeditionlanguage
2015-10-24Acta Crystallographica Section E: Crystallographic Communications
10.1107/s2056989015019313http://scripts.iucr.org/cgi-bin/paper?S2056989015019313