Harder, Sjoerd; Lutz, Martin; Streitwieser, Andrew:

Crystal Structure of Trilithiated Dimethylphenol.

In: Journal of the American Chemical Society (J.Am.Chem.Soc.), Jg. 117 (1995) ; Nr. 8, S. 2361-2362
ISSN: 0002-7863
Zeitschriftenaufsatz / Fach: Chemie
Trilithiated dimethylphenol-N,N,N',N'-tetramethylethylenediamine-benzene complex is triclinic, space group P.hivin.1, with a 18.38(3), b 21.64(4), c 23.26(2) .ANG., a 73.1(1), b 70.9(1), and g 68.5(1) Deg; Z = 2 (2 mols./Z), dc = 0.952; R = 0.096 for 12,950 reflections. The asym. unit contains 2 tetrameric aggregates of trilithiated dimethylphenol.tetramethylethylenediamine and about 3 disordered benzene mols. filling holes between aggregates but showing no coordinative interactions with the lithiums. Both tetrameric aggregates have similar structures with approx. (noncrystallog.) S4 symmetry in which 3 different types of Li cations can be recognized. The core of the structure is formed by the aggregation of the 4 Li phenoxide functionalities. NMR indicates that the structure of the tetrameric aggregate is retained in soln.