THE CRYSTAL AND MOLECULAR STRUCTURE OF DI-trans-β-STYRYLMERCURY

Article abstract of DOI:10.1016/0022-328X(83)80168-5

The structure of di-trans-β-styrylmercury has been determined by single crystal X-ray methods from counter data.The compound crystallizes in the orthorhombic space group Pbcn with unit cell dimensions a 15.413(6), b 11.161(9), c 7.668(5) Angstroem, V 1319(1) Angstroem³, D_calc 2.049 g/cm³, and Z = 4.The crystal was solved by conventional heavy atom techniques.The crystal consists of individual molecular units with the mercury atom located on a two fold axis of symmetry.The C-Hg-C fragment is nearly linear with an angle of 178 deg.The β-styryl groups are oriented so that a dihedral angle of 66.8 deg is formed between the planes defined by Hg-C(1)-C(2) and Hg-C(1)'-C(2)' fragments.The Hg-C bond distance is 2.07(4) Angstroem.