The crystal structure of altrenogest has been solved and refined using synchrotron X-ray powder diffraction data, optimized density functional techniques. Altrenogest crystallizes in space group P 2 1 (#19) with a = 7.286 916(16), b 10.580 333(19), c 22.266 08(7) Å, V 1716.671(6) Å 3 , Z 4 at 295 K. Thermal expansion between 113 K is anisotropic. An O–H⋯O hydrogen bond links the molecules into ...