(RS)-Efonidipine acetone hemisolvate

Abstract

The asymmetric unit of the title compound, C34H38N3O7P·0.5C3H6O {systematic name: (RS)-2-[phenyl(phenylmethyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3-dioxa-2λ5-phosphacyclohex-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate acetone hemisolvate}, contains oneR-efonidipine molecule, oneS-efonidipine molecule and half of a solvate acetone molecule. In both efonidipine molecules, the six-membered rings of the dioxaphosphinanyl moieties display a chair conformation and the dihydropyridine rings display a flattened boat conformation. In the crystal, N—H...O, C—H...O hydrogen bonds and weak C—H...π interactions link the molecules into a three-dimensional supramolecular structure. A solvent-accessible void of 199 Å3is found in the structure; the contribution of the heavily disordered solvate molecule was suppressed by use of the SQUEEZE routine inPLATON[Spek (2015).Acta Cryst. C71, 9–18].