Crystal structure of 4,8-di-tert-butyl-6,6-di-chloro-13-ethyl-2,10-dimethyl-13,14-di-hydro-12H-dibenzo[d,i][1,3,7,2]dioxaza-silecine toluene 0.25-solvate.

ABSTRACT: The coordination polyhedron at the silicon atom in the title compound, C26H37Cl2NO2Si·0.25C7H8, is typical for penta-coordinated silicon derivatives and represents a slightly distorted trigonal bipyramid with an N atom and a Cl atom in the apical positions and the two O atoms and the other Cl atom occupying the equatorial sites. There are two independent mol-ecules in the asymmetric unit. The N-Si-Cl fragment in each is close to linear [178.24?(5) and 178.71?(5)°], in good agreement with 4e-3c theory, as is the elongation of the apical bond lengths [Si-Cl = 2.1663?(7) and 2.1797?(7)?Å] in comparison with the equatorial bonds [Si-Cl = 2.0784?(7) and 2.0748?(7)?Å]. Orthogonal least-squares fitting of the two independent mol-ecules resulted in r.m.s. deviation of 0.017?Å. The conformations of the two mol-ecules are almost the same, with corresponding torsion angles differing by less than 5.5°. The toluene solvent mol-ecule is disordered about an inversion centre.

SUBMITTER: Kuchuk EA 

PROVIDER: S-EPMC4719981 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature