(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

Zukerman-Schpector, Julio and Soto-Monsalve, Monica and De Almeida Santos, Regina H. and Machado, Angelo H. L. and Correia, Carlos Roque D. and Jotani, Mukesh M. and Tiekink, Edward R. T. * (2018) (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. Acta Crystallographica Section E Crystallographic Communications, 74 (3). pp. 414-418. ISSN 2056-9890

Tiekink 1R,2S,5R Acta Cryst. 2018 E74 414.pdf

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Official URL: http://doi.org/10.1107/S2056989018003092


In the title compound, C28H34N2O5, the adjacent ester and nitrobenzene substituents are connected via an intramolecular methylene-C—H. ...(nitrobenzene) interaction and the molecule approximates to a U-shape. The dihydropyrrole ring (r.m.s. deviation = 0.003 A ˚ ) is almost co-planar with the carboxylate residue [Cm—N—C1—Oc (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.

Item Type: Article
Uncontrolled Keywords: crystal structure; pyrrolidine alkaloid; Heck reaction; Hirshfeld surface analysis
Subjects: Q Science > QD Chemistry
Divisions: Others > Non Sunway Academics
Depositing User: Dr Janaki Sinnasamy
Related URLs:
Date Deposited: 07 Mar 2018 05:17
Last Modified: 07 Oct 2020 09:14
URI: http://eprints.sunway.edu.my/id/eprint/773

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