Crystal structure of ethyl 2-(4-chlorophenyl)-3-cyclopentyl-4-oxo-1-propyl-imidazolidine-5-carboxylate

Acta Crystallogr E Crystallogr Commun. 2015 Aug 22;71(Pt 9):o682-3. doi: 10.1107/S2056989015015364. eCollection 2015 Sep 1.

Abstract

The title compound, C20H27ClN2O3, was obtained via an original synthesis method. The central heterocyclic ring adopts a shallow envelope conformation, with the N atom bearing the cyclo-pentane ring as the flap [deviation from the other atoms = 0.442 (2) Å]. The cyclo-pentane ring adopts a twisted conformation about one of the CN-C bonds: the exocyclic C-N bond adopts an equatorial orientation. The dihedral angles between the central ring (all atoms) and the pendant five- and six-membered rings are 10.3 (2) and 87.76 (14)°, respectively. In the crystal, C-H⋯O inter-actions link the mol-ecules into [011] chains. A weak C-H⋯Cl inter-action links the chains into (100) sheets. A mechanism for the cyclization reaction is proposed.

Keywords: C—H⋯O and C—H⋯O inter­actions; aziridine rearrangement; crystal structure; synthesis.