Crystal and molecular structure of 5-ethyl-5,10-dihydrido-10,10-diphenylphenazasiline

Abstract

The structure of 5-ethyl-5,10-dihydro-10,10-diphenylphenazasiline has been determined from three-dimensional X-ray data collected by counter methods. The compound in the monoclinic space group P2 1/ b with a 10.782(5), b 22.642(9), c 8.830(4) Å and γ 74°41′(2). The observed and calculated densities ( Z = 4) are 1.22 and 1.21 g cm -3, respectively. Anisotropic(Si, N, C)-isotropic block-diagonal least squares refinement gave a conventional R factor of 3.9% for 1871 reflections with I>2σ(I). The central six-membered ring of the tricyclic system adopts a boat conformation; the dihedral angle between the benzo-group planes is 157.3°. The CSiC angle in the heterocycle is 101.1(1)°; the mean SiC bond length is 1.850(2) Å (in the cycle) and 1.862(2) Å (with Ph group). The nitrogen atom is displaced 0.05 Å from the plane of the adjacent carbon atoms; the sum of the angle about N is 359.7°.