(1 R ,2 S ,5 R )-5-Methyl-2-[2-(4-nitro-phen-yl)propan-2-yl]cyclo-hexyl 2-(4-meth-oxy-phen-yl)-2,5-di-hydro-1 H -pyrrole-1-carboxyl-ate: crystal structure and Hirshfeld analysis

• Published in: Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2018-03, Vol.74 (Pt 3), p.414
• Main Authors: Zukerman-Schpector, Julio, Soto-Monsalve, Monica, De Almeida Santos, Regina H, Machado, Angelo H L, Correia, Carlos Roque D, Jotani, Mukesh M, Tiekink, Edward R T
• Format: Article
• Language: English
• ISSN: 2056-9890; 2056-9890

In the title compound, C H N O , the adjacent ester and nitro-benzene substituents are connected 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 [C -N-C1-O (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- - ⋯ (carbon-yl) inter-actions lead to linear supra-molecular chains along the -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.