Crystal Structure of α-Cyclopropyl-4-methoxy-α-(pyrimidin-5-yl)benzyl alcohol (Ancymidol)

Abstract

C₁₅H₁₆O₂N₂ is monoclinic, C2/c. The unit-cell dimensions at 293 K a = 16.987(2), b = 11.4745(17), c = 14.268(2)Å, β = 96.017(4)°, V = 2765.7 (7)ų, D_x = 1.231 g/cm³, and Z = 8. The R value is 0.043 for 2432 reflections. The cyclopropyl ring is oriented to minimize repulsions between the benzyl and pyrimidine rings. Apart from one intermolecular hydrogen bond, the packing of molecules in the crystal is entirely due to van der Waals forces.