Crystal and molecular structure of 1-chloro-2,2,3,4,4-pentamethylphosphetan 1-oxide (C8H16POCl)

Abstract

The crystal structure and relative stereochemistry of 1-chloro-2,2,3,4,4-pentamethylphosphetan 1-oxide (C₈H₁₆POCl), have been determined using three-dimensional X-ray diffractometer data. The crystals are monoclinic, space group P2₁/c, Z= 4 in a unit-cell of dimensions: a= 7·824, b= 6·921, c= 19·828 Å, β= 101·63°. The structure has been refined by full-matrix least-squares methods to a final R of 0·084, for 469 observed reflections. The internal angles of the phosphetan ring are 85·9, 84·7, 102·1, and 83·7°. The phosphetan ring is puckered with a dihedral angle of 26·4°. The methyl group at C(3) is trans to the chlorine.