Further studies of the unusual nature of tris(.beta.-cyanoethyl)phosphine: structures of the phosphine and the phosphine oxide Academic Article uri icon

abstract

  • The crystal and molecular structures of tris(β-cyanoethyl)phosphine (1) and the phosphine oxide (2) have been determined. The structure of the phosphine (1) was solved and refined in space group Pljm with a = 6.812 (3) k,b = 12.988 (7) k, c = 5.869 (2) k, β = 91.08 (3)°, and Z = 2. The molecules lie in mirror planes and are significantly distorted from threefold symmetry. The C-P-C angles are 106.9 (1) (twice) and 97.1 (2)° while the other dimensions that should be chemically equivalent also show discrepancies, e.g., P-C = 1.818 (5) (twice) and 1.841 (2) Á and C-N = 1.156 (3) (twice) and 1.111 (6) A. The distortions as well as the high melting point of the phosphine are attributed to intermolecular dipole-dipole forces. The oxide (2) crystallizes in the hexagonal space group R3c with a = 13.487 (3) A, c = 10.166 (1) A, and Z = 6. The structure refined smoothly to R, = 0.028 and R2 = 0.037. The molecule has crystallographic 3 symmetry with P-O = 1.498 (3) A, P-C = 1.803 (2) A, C-C = 1.519 (3) A, C-CN = 1.459 (3) A, C=N = 1.133 (3) A, O-C-C = 112.04 (8)°, and C-P-C = 106.78 (9)°. © 1981, American Chemical Society. All rights reserved.

author list (cited authors)

  • Cotton, F. A., Darensbourg, D. J., Fredrich, M. F., Ilsley, W. H., & Troup, J. M.

citation count

  • 13

publication date

  • June 1981