In the title compound, C(28)H(34)N(2)O(5), the adjacent ester and nitro-benzene substituents are connected via an intra-molecular methyl-ene-C-Hâ¯Ï(nitrobenzene) inter-action and the mol-ecule approximates to a U-shape. The di-hydro-pyrrole ring (r.m.s. deviation = 0.003â à ) is almost co-planar with the carboxyl-ate residue [C(m)-N-C1-O(c) (m = methine, c = carbox-yl) torsion angle = 1.8â (4)°] but is orthogonal to the 4-meth-oxy-benzene ring [dihedral angle = 84.34â (17)°]. In the crystal, methyl-ene-C-Hâ¯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 Hâ¯H, Oâ¯H/Hâ¯O and Câ¯H/Hâ¯C contacts in the crystal.
(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.
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作者: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
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2018 | 起止号: | 2018 Feb 28; 74(Pt 3):414-418 |
| doi: | 10.1107/S2056989018003092 | ||
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