THE BILE SALTS: HOW CAN THE CRYSTAL STRUCTURE HELP TO UNDERSTAND THEIR PHYSIOLOGICAL FUNCTION

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MODELING MICELLAR AGGREGATION OF BILE SALTS

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The molecular and crystal structure of an allylpalladium(II) triazenido complex: di-μ -(1,3-di-p-tolyltriazenido)di(1-3-η -allyl)dipalladium(II).

The structure of [(1-3-.eta.-C3H5)Pd(II)(p-CH3C6H4NNNC6H4CH3-p)]2 was detd. by single-crystal x-ray anal. The compd. has space group P21/c, with a 8.510(2), b 40.652(9), c 9.762(2) .ANG., .beta. 103.61(2), and d.(calcd.) = 1.50. R = 0.041, Rw = 0.060, based on 3978 independent reflections. The 2 .pi.-allylpalladium residues are bridged by 2 1,3-di-p-tolyltriazenido groups, gaining an approx. square planar coordination around each heavy atom. The 2 allyl units are stereochem. equiv., with the central C atoms pointing outwards. The rigid triazenido groups force the 2 Pd atoms into close contact (2.86 .ANG.). The arom. rings are somewhat rotated with respect to the bonded N-N-N planes, but some .pi.-conjugation over the whole ligand is still retained