The conformation of non‐aromatic ring compounds. Part 60. The crystal structure of 2‐p‐Chlorophenyl‐1,3‐dioxane

Crystals of 2‐ p ‐chlorophenyl‐l,3‐dioxane are triclinic. The space group is P1¯. The unit cell containing two molecules has dimensions a = 9.708, b = 10.914, c = 4.740 Å, α = 90.7, β = 102.6 and γ = 103.1°. Photographic X‐ray reflexion data (copper radiation) were recorded about two axes. The structure was solved by Patterson methods and refined by a least‐squares technique. The intramolecular bond distances and valency angles do not deviate from the expected values. The phenyl group is in equatorial orientation with respect to the chair‐shaped dioxane ring. The O‐C‐O part of the dioxane molecule is more puckered (average torsional angle 62.5°) than the corresponding cyclohexane ring; the values found for the torsional angles are in agreement with model studies and NMR measurements.