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(1R,2S,5R)-5-Methyl-2-[2-(4-nitro­phen­yl)propan-2-yl]cyclo­hexyl 2-(4-meth­oxy­phen­yl)-2,5-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis

In the title compound, C(28)H(34)N(2)O(5), the adjacent ester and nitro­benzene substituents are connected via an intra­molecular methyl­ene-C—H⋯π(nitrobenzene) inter­action and the mol­ecule approximates to a U-shape. The di­hydro­pyrrole ring (r.m.s. deviation = 0.003 Å) is almost co-planar with t...

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Detalles Bibliográficos
Autores principales: 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.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947815/
https://www.ncbi.nlm.nih.gov/pubmed/29765735
http://dx.doi.org/10.1107/S2056989018003092
Descripción
Sumario:In the title compound, C(28)H(34)N(2)O(5), the adjacent ester and nitro­benzene substituents are connected via an intra­molecular methyl­ene-C—H⋯π(nitrobenzene) inter­action and the mol­ecule approximates to a U-shape. The di­hydro­pyrrole ring (r.m.s. deviation = 0.003 Å) is almost co-planar with the carboxyl­ate residue [C(m)—N—C1—O(c) (m = methine, c = carbox­yl) torsion angle = 1.8 (4)°] but is orthogonal to the 4-meth­oxy­benzene ring [dihedral angle = 84.34 (17)°]. In the crystal, methyl­ene-C—H⋯O(carbon­yl) inter­actions lead to linear supra­molecular chains along the b-axis direction, which pack without directional inter­actions between them. The analysis of the calculated Hirshfeld surface points to the importance of weak inter­atomic H⋯H, O⋯H/H⋯O and C⋯H/H⋯C contacts in the crystal.