SYNTHESIS AND CRYSTAL AND MOLECULAR-STRUCTURE OF MU-OXO-BIS[TRIFLUOROACETATO(P-TOLYL)IODINE]

Crystal and molecular structure of mu-oxo-bis[trifluoroacetato(p-totyl )iodin] (I) synthesized by a new procedure was determined by X-ray dif fraction analysis. Crystals I are orthorhombic, unstable, space group Pbcn, a = 17.684(3), b = 8.453(3), c = 30.560(4) Angstrom, Z = 8. The structure off was solved by direct and Fourier methods and refined by the full-matrix least-squares procedure in an anisotropic-isotropic ap proximation to R = 0.098 (CAD-4 automatic diffractometer, lambda CuKal pha, 1200 observed reflections with I greater than or equal to 2 sigma ). In molecule I, two iodine atoms have T-configuration of valence bon ds with the average bond angles O-I-O 169(1) and O-I-C 86(2)degrees, a verage bond lengths I-O mu 2.009(9), I-O-acet 2.269(9), and I-C-aryl 2 11(1) Angstrom, and the bond angle I-O-I 118.1(5)degrees. in molecule I, two p-Tol substituents are directed to approximately the same side of the medium plane of the central O-I-O-I-O fragment. Crystal structu re I has I ... O type intra- and intermolecular nonvalent interactions (secondary bonds).