Ethyl 2-(4-meth­oxy­phen­yl)-6-oxa-3-aza­bicyclo[3.1.0]hexane-3-carboxyl­ate: crystal structure and Hirshfeld analysis

Acta Crystallographica Section E: Crystallographic Communications

Tiekink, E.R.T.¹  Jotani, M.M.²  Sugiyama, F.H.³  Zukerman-Schpector, J.³  Correia, C.R.D.⁴  Garcia, A.L.L.⁴ 

[1] Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia;Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380001, India;Departmento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, São Paulo, Brazil;Instituto de Química, Universidade Estadual de Campinas, UNICAMP, CP 6154, 13084-971, Campinas, São Paulo, Brazil

关键词: CRYSTAL STRUCTURE;    PYRROLIDYL;    EPOXIDE;    HIRSHFELD SURFACE ANALYSIS;   

DOI  :  10.1107/S2056989017009987

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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-meth­oxy­phenyl 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 inter­actions in the crystal are of the type methine-C—H⋯O(carbon­yl) and these lead to the formation of linear supra­molecular chains along the c axis; weak benzene-C—H⋯O(epoxide) and methine-C—H⋯O(meth­oxy) inter­actions connect these into a three-dimensional architecture. The analysis of the Hirshfeld surface confirms the presence of C—H⋯O inter­actions in the crystal, but also the dominance of H⋯H dispersion contacts.

【 授权许可】

CC BY