Synthesis, characterization, peripheral studies and structural analysis oftri(p-anisy1) selenonium trifluoroacetate

The X-ray structural investigation of tri(p-anisyl) selenonium trifluoroace tate, C23H21F3O5Se(H2O)(0.5) (I) has been carried out by means of three dim ensional single-crystal diffractometry. The title compound (I) crystallizes in space group C2/c (No. 15, Z = 8). The lattice constants are a = 14.988( 3), b = 16.212(2), c = 19.898(9) Angstrom, beta = 110.79(2)degrees. A full- matrix least-squares refinement program yielded a final reliability (R) fac tor of 0.039 based on 1977 unique reflections. Characterizations include ph ysical property determinations and spectrometric identifications employing I.R., H-1 and C-13 NMR and X-ray powder analyses. The molecules in the crys tal lattice are held together by van der Waals forces and hydrogen bonding. Selected bond distances and angles are presented and discussed as well as synthesis and peripheral studies. (C) 1999 Elsevier Science B.V. All rights reserved.