Crystal structure and Hirshfeld surface analysis of ethyl (4R,4aS)-2-methyl-5,8-dioxo-6-phenyl-4a,5,6,7,7a,8-hexa-hydro-4H-furo[2,3-f]iso-indole-4-carboxyl-ate.

ABSTRACT: In the title compound, C₂₀H₁₉NO₅, 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. Mol-ecules are connected by inter-molecular C-H⋯O hydrogen bonds, C-H⋯π inter-actions and π-π stacking inter-actions [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%) inter-actions, as concluded from a Hirshfeld surface analysis.

SUBMITTER: Zaytsev VP 

PROVIDER: S-EPMC7869551 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature