Affiliations 

  • 1 Departmento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, São Paulo, Brazil
  • 2 Instituto de Química, Universidade Estadual de Campinas, UNICAMP, CP 6154, 13084-971, Campinas, São Paulo, Brazil
  • 3 Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380001, India
  • 4 Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia
Acta Crystallogr E Crystallogr Commun, 2017 Jul 01;73(Pt 8):1218-1222.
PMID: 28932440 DOI: 10.1107/S2056989017009987

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.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.