Y. Kai, N. Yasuoka, N. Kasai
Oct 16, 1971
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0
Influential Citations
25
Citations
Journal
Journal of Organometallic Chemistry
Abstract
Abstract The crystal structure and molecular configuration of the highly stereospecific polymerization catalyst of acetaldehyde, dimethylaluminum N-phenylbenzimidate dimer, [(CH3)2AlOC(C6H5)N(C6H5)]2 have been determined from three-dimensional X-ray data collected photographically. The crystal belongs to the monoclinic system, space group P21/c, with two dimer formula units in a cell of dimensions: a=6.64±0.03, b=12.05±0.01, c=18.28±0.01 A, and β=94.9±0.02°. The structure has been refined by block-diagonal least-squares using anisotropic temperature factors for the nonhydrogen atoms. Hydrogen atoms with isotropic temperature factors were also included in the refinement. The final R index is 0.107 for 1096 non-zero reflections. The dimeric molecule is composed of a centro-symmetrical eight-membered ring; the aluminum atoms are bridged by OCN groups. The environmental of the aluminum atom is distorted tetrahedron: AlO = 1.805(6), AlN = 1.947(7), AlC = 1.940(11) and 1.940(11) A. The environments of the N and C atoms (of the eight-membered right) are trigonal. The configuration of the two adjacent benzene rings about the NC bond is cis.