Affiliations 

  • 1 Laboratório de Cristalografia, Esterodinâmica e Modelagem Molecular, Departamento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil
  • 2 Instituto de Química de São Carlos, Universidade de São Paulo, São Carlos, SP, Brazil
  • 3 Instituto de Química, Universidade Estadual de Campinas, UNICAMP, C.P. 6154, CEP. 13084-971, Campinas, São Paulo, Brazil
  • 4 Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380001, India
  • 5 Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia
Acta Crystallogr E Crystallogr Commun, 2018 Mar 01;74(Pt 3):414-418.
PMID: 29765735 DOI: 10.1107/S2056989018003092

Abstract

In the title compound, C28H34N2O5, the adjacent ester and nitro-benzene substituents are connected via an intra-molecular methyl-ene-C-H⋯π(nitrobenzene) inter-action and the mol-ecule approximates to a U-shape. The di-hydro-pyrrole ring (r.m.s. deviation = 0.003 Å) is almost co-planar with the carboxyl-ate residue [Cm-N-C1-Oc (m = methine, c = carbox-yl) torsion angle = 1.8 (4)°] but is orthogonal to the 4-meth-oxy-benzene ring [dihedral angle = 84.34 (17)°]. In the crystal, methyl-ene-C-H⋯O(carbon-yl) inter-actions lead to linear supra-molecular chains along the b-axis direction, which pack without directional inter-actions between them. The analysis of the calculated Hirshfeld surface points to the importance of weak inter-atomic H⋯H, O⋯H/H⋯O and C⋯H/H⋯C contacts in the crystal.

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