Die Kristallstruktur von Lithiummesitolat [{LiOC6H2-2,4,6-(CH3)3}4(THF)3

Abstract

X-Ray Structure of [{LiOC6H2-2,4,6-(CH3)3}4(THF)3] The title compound crystallized from a THF/OEt2 solution. Its crystal structure (monoclinic, P21/c, a = 21.362(3), b = 13.441(2), c = 17.188(2) Å, β = 98.39(1)°, Z = 4, R = 0,0911, wR2 = 0,2562) is built up by cuban-like tetrameric units. Three of the four Li cations attain a coordination number of four by binding to an additional THF molecule. Li(4) without THF coordination has a short distance to one ortho-methyl group (Li(4)…C(27) 2.669(10) Å). The Li–Oph bonding distances vary from 1.869(10) to 2.051(10) Å (average 1.97 Å); the average bonding distance for Li–OTHF is 2.012(10) Å. Averaged bonding angles for Li–Oph–Li′ and Oph–Li–O′ph amount to 84.4(4)° and 95.4(4)°, respectively. The Li…Li distances significantly differ from each other. They range from 2.556(12) to 2.739(11) Å (average 2.65(1) Å).