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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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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 |
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. |
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