Crystal and molecular structures and synthesis of μ-oxy-bis[trifluoroacetonato(p-totyl)iodine]

Crystal and molecular structure of μ-oxy-bis[trifluoroacetato(p-totyl)iodine] (1), which has been synthesized according to a new method, has been ascertained by the X-ray structural analysis. Unstable crystals of one are rhombic: sp.gr. Rbcn, a=17.684(3), b=8.453(3), c=30.560(4) A, Z=8. In the molecule of 1 two iodine atoms have T-shaped configuration of valency bonds with average valency angles: O-I-O 169 (1) and O-I-C 86 (2) deg; average bond lengths: I-Oμ 2.009 (9), I-Oacet 2.269 (9) and I-Caryl 2.11 (1) A; valency angle I-O-I 118.1 (5) deg. In molecule of 1 two substituents p-Tol are directed to approximately the same side from averaged plane of the central fragment O-I-O-I-O. In crystal structure of 1 there are intra- and intermolecular nonvalent interactions (secondary bonds) of I...O type. 10 refs., 3 tabs