Mercury β-Diketonato complexes : II. The crystal and molecular structure of 3,3-bis(chloromercury)-2,4-pentanedione

The structure of 3,3-bis(chloromercury)-2,4-pentanedione is reported. The space group indicated is C2/c with unit cell dimensions: a = 15.048(2), b = 10.921(6), c = 16.080(4) Å, and β = 134.74(1)°. Three-dimensional absorption-corrected diffractometer data were used in the refinement of the structure to a conventional R(F) value of 0.079. Anisotropic temperature factors were used for Hg and Cl atoms while C and O atoms were refined isotropically. Both Hg atoms are bound to the γ-carbon of acetylacetone. Solid state Raman and infrared spectra are reported. Lowering of the C=O stretching frequency is discussed in terms of the crystal structure.