STRUCTURE CRISTALLINE ET CONFORMATION DU DIPHENYLPHOSPHODITHIOATE-2 BENZO-4,5 THIAZOLE-1,3, ANALOGUE D'UNE FORME “O-PHOSPHOBIOTINE”

Abstract

C₁₉H₁₄NO₂S₃P. monoclinic, C2/c, a=20.238 (10), b=14.345 (8) and c=15.472 (6) Å, β=120.11 (5)°, V=3886 (4) ų, Z=8, M=415.5 g, d_c=1.42 Mg · m⁻³. The structure was solved by direct methods and refined by full-matrix least-squares calculations to R=0.048. The stability of the first model of the “O-phosphobiotine” structure is understood on the ground of the large through space distance between the phosphorus and the nitrogen atoms, preventing intramolecular rearrangement to the more stable N-phosphorylated form.