(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, C28H34N2O5, 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 carboxylat...
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Veröffentlicht in: | Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2018-03, Vol.74 (3), p.414-418 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | In the title compound, C28H34N2O5, 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 [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. |
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ISSN: | 2056-9890 2056-9890 |
DOI: | 10.1107/S2056989018003092 |