Ethyl 2-(4-meth-oxy-phen-yl)-6-oxa-3-aza-bicyclo[3.1.0]hexane-3-carboxyl-ate: crystal structure and Hirshfeld analysis.

ABSTRACT: The title compound, C14H17NO4, features an epoxide-O atom fused to a pyrrolidyl ring, the latter having an envelope conformation with the N atom being the flap. The 4-meth-oxy-phenyl group is orthogonal to [dihedral angle = 85.02?(6)°] and lies to the opposite side of the five-membered ring to the epoxide O atom, while the N-bound ethyl ester group (r.m.s. deviation of the five fitted atoms = 0.0187?Å) is twisted with respect to the ring [dihedral angle = 17.23?(9)°]. The most prominent inter-actions in the crystal are of the type methine-C-H?O(carbon-yl) and these lead to the formation of linear supra-molecular chains along the c axis; weak benzene-C-H?O(epoxide) and methine-C-H?O(meth-oxy) inter-actions connect these into a three-dimensional architecture. The analysis of the Hirshfeld surface confirms the presence of C-H?O inter-actions in the crystal, but also the dominance of H?H dispersion contacts.

SUBMITTER: Zukerman-Schpector J 

PROVIDER: S-EPMC5598852 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature