Addition reactions and crystal structure of trans-CH3Ir(CO)(PPh3)2

Article abstract of DOI:10.1021/om00126a004

The complex trans-MeIr(CO)(PPh₃)₂ readily undergoes addition reactions with a variety of small molecules such as H₂, CO, MeO₂CCH=CHCO₂Me, MeO₂CC≡CCO₂Me, O₂, CH₃I, and H₂C(O) to yield well-characterized products. Further reactions of the addition complexes are noted in most cases. The species trans-MeIr(CO)(PPh₃)₂ crystallizes in the centrosymmetric triclinic space group P1 with a = 9.2497 (9) ?, b = 9.6080 (11) ?, c = 10.4855 (14) ?, α = 72.390 (10)°, β = 88.990 (9)°, γ = 69.224 (8)°, V = 826.22 (16) ?³, Z = 1, and D(calcd) = 1.53 g cm^-3 for mol wt 759.9. Diffraction data (Mo Kα 2θ = 4.5-50.0°) were collected with a Syntex P2₁ automated four-circle diffractometer and refined to R_F = 1.8% and R_wF = 2.1% for the 2922 independent reflections (none rejected). The molecule lies on a center of symmetry and is disordered with CO and Me ligands occupying square-planar sites rigorously coplanar with the iridium atom. The Ir-P distances are each 2.300 (1) ?; estimated Ir-CO and Ir-Me distances are ～1.835 and ～2.17 ?, respectively.