H. Vogt et al., SYNTHESIS AND CRYSTAL-STRUCTURE OF IODOME THYLTRIPHENYLPHOSPHONIUM IODIDE(C6H5)(3)PCH2I-(I), Zeitschrift fur Naturforschung. B, A journal of chemical sciences, 48(12), 1993, pp. 1760-1766
Iodomethyltriphenylphosphonium iodide, (C6H5)(3)PCH2I+I-, has been pre
pared by the reaction of (C6H5)(3)P with CH2I2 in dichloromethane form
ing colourless needle like crystals. The crystal and molecular structu
res have been determined by an X-ray structure analysis. The crystals
are orthorhombic, space group Pca2(1), Z = 8; a = 1478,8(3) pm, b = 12
49,3(3) pm, c = 2053,2(3) pm. R = 0.050 for 3219 observed reflections
with I greater than or equal to 2 sigma the solid state the title comp
ound exists as two discrete monomeric units, (C6H5)(3)PCH2I+I-. In bot
h symmetry independent units the I-I distances are surprisingly short
with 346,5(1) pm and 356,3(1) pm. For the title compound the results o
f AM1, PM3, and MNDO calculations are in good agreement with correspon
ding values determined by the X-ray analysis.