Crystal structures of two polysubstituted derivatives of cyclohexanone

The structure of 2,4-diacetyl-5-hydroxy-5-methyl-3-(4-nitrophenyl)-cyclohexanone (I) was determined by X-ray crystallography. The symmetry operation (-x + 2, - y + 1, -z) generates the whole molecule. The compound crystallizes in an orthorhombic system and was characterized thus: Pbca, a = 8.6405(10), b=18.682(2), c=20.187(4), = β=γ=90 o , Z =.8, V = 3258.7 (8) A 3 . The crystal structure was solved by direct methods and refined by full-matrix least-squares on F 2 to final values of R1 = 0.0687 and wR2 = 0.1225. The structure of 2,4-Diacetyl-3-(4-fluorophenyl)-5-hydroxy-5methylcyclohexanone (II) was determine by X-ray crystallography. The symmetry operation (-x + 2, - y + 1, -z) generates the whole molecule. The compound crystallizes in a monoclinic system and was characterized thus: P2 1/c, a=5.7045 (5), b=18.120 (3), c=16.1678 (11), = γ= 90 o , β= 96.192 (6) o , Z = 4, V = 1661.5 (3) A 3 . The crystal structure was solved by direct methods and refined by full-matrix least-squares on F 2 to final values of R1 = 0.0699 and wR2 = 0. 0.2100.