Crystal structure of diethyl 3-(3-chloro-phen-yl)-2,2-di-cyano-cyclo-propane-1,1-di-carboxyl-ate

Acta Crystallogr E Crystallogr Commun. 2016 Jan 27;72(Pt 2):253-6. doi: 10.1107/S2056989016001444. eCollection 2016 Feb 1.

Abstract

In the racemic title compound, C17H15ClN2O4, which has been synthesized and the crystal structure of the solvent-free mol-ecule determined, the angle between the planes of the benzene and cyclo-propane rings is 54.29 (10)°. The mol-ecular conformation is stabilized by two weak intra-molecular C-H⋯Ocarbox-yl inter-actions. In the crystal, C-H⋯O hydrogen bonds form centrosymmetric cyclic R 2 (2)(10) dimers which are linked into chain substructures extending along c. Further C-H⋯Nnitrile hydrogen bonding, including a centrosymmetric cyclic R 2 (2)(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 inter-molecular inter-actions are present in the crystal.

Keywords: MIRC; crown ether; crystal structure; cyclo­propane derivatives; phase-transfer catalysis.