Cis-4,4,10-Trimethyl-2-tosyl-1,2,3,3a,4,11b-hexahydro-11H-pyrrolo[3,4-c]pyrano[5,6-c]quinolin-11-one hemihydrate

Abstract

The asymmetric unit of the title compound, C24H26N2O4S·0.5H2O, contains two independent molecules, A and B, with similar conformations, and a water molecule. The pyrrolidine ring adopts an envelope conformation in molecule A and a twist conformation in molecule B. In both molecules, the pyrrolidine and dihydropyran rings are cis-fused, and the dihydropyran ring has a half-chair conformation. Each of the independent molecules adopts a folded conformation, with the sulfonyl-bound benzene ring lying over the pyridinone ring. The two independent molecules, A and B, are linked together via C—H...O hydrogen bonds and C—H...π interactions. The A–B pairs are linked into a chain along the a axis by O—H...O and C—H...O hydrogen bonds, as well as C—H...π interactions. The inversion- and screw-related molecules in adjacent chains are cross-linked via C—H...O and C—H...N interactions, forming a three-dimensional framework.