The Crystal and Molecular Structure of 1‐Allyl‐5‐benzoyl‐4‐phenylpyrimidine‐2‐one hemihydrate

Abstract

Abstract The crystal structure of C 20 H 16 N 2 O 2 . 0.5 H 2 O has been determined from three dimensional X‐ray diffraction data. The crystals are monoclinic, space group C 2/c, with a = 24.491(3) Å, b =10.241(2) Å, c = 16.643(2) Å, β =126.63(1)°, V = 3350.0(9) Å 3 , D calc = 1.290 g. cm −3 , Z = 8. The structure was solved by direct methods and refined by least‐squares methods to a final R = 0.0625 for 1358 observed unique reflections ( F 2 ⩾ 2σ( F 2 )].