J. Wood, R. J. Wikholm, W. E. Mcewen
Apr 1, 1977
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Journal
Phosphorus Sulfur and Silicon and The Related Elements
Abstract
Abstract The crystal structure of benzyl(2-methoxyphenyl)diphenylphosphonium bromide has been determined from three dimensional X-ray data collected on a three circle diffractometer using MoKα radiation. The salt crystallized in the orthorhombic space group Pbca with cell constants α=15.528 (7), b=16.892 (7), and c=17.921 (8) A. The observed and calculated densities for 8 molecules per unit cell are 1.308 (5) and 1.309 g · cm−3 respectively. The structure was refined by full matrix least squares to final residuals of R=0.089 and R w0.120 for the 1757 independent reflections in the range 2° > 2θ> 42° whose intensities were above background. The cation has near tetrahedral geometry with an average P-C bond distance of 1.819 (14) A and the configuration of the ion is such that the oxygen atom of the methoxy group is trans to the alkyl carbon atom of the benzyl group. The phosphorus-oxygen distance of 2.878 (12) A suggests a weak bonding interaction and qualitative support for this view is obtained from energ...