Title of article :
Crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate
Author/Authors :
May, No´ra Veronika Institute of Organic Chemistry - Research Centre for Natural Sciences - Hungarian Academy of Sciences, Hungary , Tama s Ga l a, Gyula Institute of Organic Chemistry - Research Centre for Natural Sciences - Hungarian Academy of Sciences, Hungary , Rapi, Zsolt Department of Organic Chemistry and Technology - Budapest University of Technology and Economics, Hungary
Abstract :
In the racemic title compound, C17H15ClN2O4, which has been synthesized and the crystal structure of the solvent-free molecule determined, the angle between the planes of the benzene and cyclopropane rings is 54.29 (10)°. The molecular conformation is stabilized by two weak intramolecular C—H⋯Ocarboxyl interactions. In the crystal, C—H⋯O hydrogen bonds form centrosymmetric cyclic R22(10) dimers which are linked into chain substructures extending along c. Further C—H⋯Nnitrile hydrogen bonding, including a centrosymmetric cyclic R22(14) association, link the chain substructures, forming a two-dimensional layered structure extending across the approximate ab plane. No significant π–π or halogen–halogen intermolecular interactions are present in the crystal.
Keywords :
crown ether , crystal structure , phase-transfer catalysis , MIRC , cyclopropane derivatives
Journal title :
Acta Crystallographica Section E: Crystallographic Communications