Title of article :
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
Author/Authors :
Zaytsev, Vladimir P. Department of Organic Chemistry - Peoples' Friendship University of Russia (RUDN University), Russian Federation , Chervyakova, Lala V. Department of Organic Chemistry - Peoples' Friendship University of Russia (RUDN University), Russian Federation , Sorokina, Elena A. Department of Organic Chemistry - Peoples' Friendship University of Russia (RUDN University), Russian Federation , Vasilyev, Kirill A. Department of Organic Chemistry - Peoples' Friendship University of Russia (RUDN University), Russian Federation , Çelikesir, Sevim Türktekin Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Akkurt, Mehmet Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Bhattarai, Ajaya Department of Chemistry - M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal
Abstract :
In the title compound, C20H19NO5, the central six-membered ring has a slightly distorted half-chair conformation, with puckering parameters of QT = 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.
Keywords :
crystal structure , six-membered ring , IMDAV reaction , Hirshfeld analysis , furan ring , pyrrolidine ring
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
