Cargando…
Crystal structure and Hirshfeld surface analysis of ethyl (4R,4aS)-2-methyl-5,8-dioxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4H-furo[2,3-f]isoindole-4-carboxylate
In the title compound, C(20)H(19)NO(5), the central six-membered ring has a slightly distorted half-chair conformation, with puckering parameters of Q (T) = 0.3387 (11) Å, θ = 49.11 (19)° and φ = 167.3 (2)°. The conformation of the fused pyrrolidine ring is that of an envelope. Molecules are connec...
Autores principales: | , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7869551/ https://www.ncbi.nlm.nih.gov/pubmed/33614131 http://dx.doi.org/10.1107/S2056989020016801 |
Sumario: | In the title compound, C(20)H(19)NO(5), the central six-membered ring has a slightly distorted half-chair conformation, with puckering parameters of Q (T) = 0.3387 (11) Å, θ = 49.11 (19)° and φ = 167.3 (2)°. The conformation of the fused pyrrolidine ring is that of an envelope. Molecules are connected by intermolecular C—H⋯O hydrogen bonds, C—H⋯π interactions and π–π stacking interactions [centroid-to-centroid distance = 3.9536 (11) Å, with a slippage of 2.047 Å], forming a three-dimensional network. The most important contributions to the surface contacts are from H⋯H (46.3%), O⋯H/H⋯O (31.5%) and C⋯H/H⋯C (17.3%) interactions, as concluded from a Hirshfeld surface analysis. |
---|