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

Acta Crystallographica. Section E, Crystallographic Communications
Julio Zukerman-SchpectorEdward R T Tiekink

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.

References

Jan 26, 2008·Chemical Communications : Chem Comm·Joshua J McKinnonMark A Spackman
Jan 28, 2009·Acta Crystallographica. Section D, Biological Crystallography·Anthony L Spek
Jan 9, 2015·Acta Crystallographica. Section C, Structural Chemistry·George M Sheldrick
Sep 22, 2017·Acta Crystallographica. Section E, Crystallographic Communications·Julio Zukerman-SchpectorEdward R T Tiekink

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