Eplerenone 1,4-dioxane solvate
Acta Crystallographica Section E
Volume 63, Issue 12, page o4898, December 2007
How to Cite
Xu, L.-Z., Yang, Q. and Nie, J.-J. (2007), Eplerenone 1,4-dioxane solvate. Acta Crystallographica Section E, 63: o4898. doi: 10.1107/S1600536807060199
Eplerenone is an aldosterone receptor antagonist. Single crystals of the title compound [systematic name: 9α,11-epoxy-7α-(methoxycarbonyl)-3-oxo-17α-pregn-4-ene-21,17-carbolactone dioxane solvate], C24H30O6·C4H8O2, were obtained from a dioxane solution. Within the eplerenone molecule, both five-membered rings display an envelope conformation. The three six-membered rings exhibit different conformations: chair, half-chair and envelope. In the crystal structure, adjacent eplerenone molecules are linked together via weak intermolecular C—H...O hydrogen bonding, forming a cavity of about 310 Å3, and the dioxane solvent molecules occupy the cavity. The solvent molecule is disordered equally over two positions.