The title compound, C(14)H(17)NO(4), 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 = 85.02â (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 = 0.0187â à ) is twisted with respect to the ring [dihedral angle = 17.23â (9)°]. The most prominent inter-actions in the crystal are of the type methine-C-Hâ¯O(carbon-yl) and these lead to the formation of linear supra-molecular chains along the c axis; weak benzene-C-Hâ¯O(epoxide) and methine-C-Hâ¯O(meth-oxy) inter-actions connect these into a three-dimensional architecture. The analysis of the Hirshfeld surface confirms the presence of C-Hâ¯O inter-actions in the crystal, but also the dominance of Hâ¯H dispersion contacts.
Ethyl 2-(4-meth-oxy-phen-yl)-6-oxa-3-aza-bicyclo[3.1.0]hexane-3-carboxyl-ate: crystal structure and Hirshfeld analysis.
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作者:Zukerman-Schpector Julio, Sugiyama Fabricia H, Garcia Ariel L L, Correia Carlos Roque D, Jotani Mukesh M, Tiekink Edward R T
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2017 | 起止号: | 2017 Jul 21; 73(Pt 8):1218-1222 |
| doi: | 10.1107/S2056989017009987 | ||
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