Crystal structure of (difluoro)methoxyoxo iodine(V) IF2(O)OCH3

(Difluoro)methoxyoxo iodine(V) (IF2(O)OCH3), the methyl ester of the unknow n difluoro iodic acid (IF2(O)OH), was obtained by the reaction of methoxytr imethyl silane with iodine pentafluoride. IF2(O)OCH3 crystallizes orthorhom bic in the space group Pbca with a = 7.605(1) Angstrom, b = 7.360(1) Angstr om, c = 15.017(1) Angstrom, and eight formula units per unit cell. The fina l R indices [I > 2 sigma>(*) over bar * (I)] are RI = 0.0264 and wR2 = 0.05 16. Additionally, IF2(O)OCH3 was characterized by its vibrational spectra a nd quantum mechanical calculations were performed.