Crystal Structure of Diiodo, (4'-Chlorobenzoylmethylenetriphenylphosphorane), (dimethylsulfoxide), Mercury(II) Complex, C28H26ClHgI2O2PS

Abstract

Phosphorus ylides are important reagents in organic chemistry, especially in the synthesis of naturally occurring products with biological and pharmacological activities. The utility of metalated phosphorus ylides in synthetic chemistry has been well documented. 2,3Single-crystal X-ray diffraction analysis was performed on a STOE IPDS-II two-circle diffractometer at 293 K, using graphite-monochromated Mo Ka X-ray radiation (l = 0.7107 Å). Data collection was performed at room temperature using the q-scan technique and the STOE X-AREA software package. 4The crystal structure was solved by direct methods and refined by using the X-STEP32 crystallographic software package. 5,6 All of the non-hydrogen atoms were refined anisotropically. All hydrogen atoms were refined with the riding model to final R indices of R1 (0.0315) and wR2 (0.0823). Table 1 Fig. 1) containing O-coordinated DMSO as a ligand. Paleyellow crystals were formed by slow evaporation of the solvent (DMSO) over several days.A characterization of the obtained compound was also performed by elemental analysis, IR, vary from 81.73(19) to 132.80(13), indicating a greatly distorted tetrahedral environment. This distortion must be due to the higher s character of the sp 3 hybrid mercury orbitals involved in the above-mentioned bonds and the steric effects of the phosphine group, needing the C-Hg-I angle to be larger. A structural study also indicates that DMSO had unprecedented bonded to the metal via its O atom. AcknowledgmentsWe are grateful to Bu-Ali-Sina and Shahid Beheshti University for financial support. Table 2 Selected key bond lengths (Å), bond angles (˚) and torsion angles (˚) in Fig. 2.