The crystal structure of sym-trans-di-a-phenoxyhexaphenoxydiphenolatodititanium(IV), [Ti(OCbHs)4-HOCrHs]2 has been determined by Patterson and heavy-atom methods. The crystal is monoclinic, space group P21/n, with cell constants a= 10"491 (12), b= 18"409 (28), c= 13.858 (17)/~, and r= 101.54 (25) °, containing two dimeric units per cell. Refinement by full-matrix least-squares methods yielded a final R value of 0.081. The dimer, which has two titanium atoms bridged by two phenoxy groups, is located on a center of symmetry. There are three phenoxy Ti-O bond lengths: 1.789 (9), 1.842 (11), and 1.884 (10/~), a phenol Ti-O bond length of 2.200 (11)/~, and two equal phenoxy Ti-O bridging distances of 2.027 (10) and 2"045 (11)/~,. The Ti-O-C bond angles of 168.9 (10) and 175.1 (11) °, found for two of the phenoxy oxygen atoms, are nearly linear. A decrease in the Ti-O bond distances results in a corresponding increase in the Ti-O-C bond angles for the three phenoxy groups. Hydrogen-bonding between the axial phenol and phenoxy oxygen atoms is suggested by the short oxygen-oxygen contact distance of 2.671 (13) A, the Ti'-Ti-O bond angles of 86"7 and 75-8 °, and the dihedral angle of 1.4 ° between the two planes formed by these atoms.
An X-ray diffraction study of tetraphenoxytitanium@) monophenolate has shown the structure to be dimer of octahedrally co-ordinated alkoxytitanium molecules.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.