SYNTHESIS, SPECTROSCOPY, AND STRUCTURES OF 2-BROMO-1-BROMOIMINO-3-OXO-ISOINDOLINE(III) AND 1-BROMOIMINO-3-OXOISOINDOLINE(IV)

The title compounds have been synthesized, characterized by spectroscopic and analytical methods, and the complete structure of (IV) determined by single-crystal X-ray methods. Compound (IV) is monoclinic: a = 13.891(3), b = 4.935(2), c = 12.499(2) angstrom, beta = 112. 10(1) deg, P2(1)/n, Z = 4. The structure was determined by the heavy-atom method, and refined by full-matrix least squares on F to R = 4.6%, with 1283 reflexions for which I greater-than-or-equal-to 3sigma (I). The structure (IV) was confirmed, and the molecule was shown to be planar to within 0.01 angstrom.