Molecular conformation of S-4-nitrophenyl OO-diphenyl thiophosphate: X-ray crystal structure analysis

Abstract

The crystal structure of the title compound has been determined from three-dimensional data by direct methods. Crystals are monoclinic, space group P2₁/c, with Z= 4 in a unit cell of dimensions: a= 10·826(2), b= 20·325(7), c= 8·139(2)Å, β= 105·4(1)°. The structure was refined by least-squares to a final R of 0·13. The conformation of the molecule in the solid state is consistent with e.p.r. measurements in solution and is not such as to suggest π-bonding on the basis of symmetry considerations.