Crystal and molecular structure of 2,6-dimethyl-4-phenylphosphorin

Abstract

The structure of 2,6-dimethyl-4-phenylphosphorin, C₁₃H₁₃P, has been determined by single-crystal X-ray methods. The space group is P2₁2₁2₁ with a= 7·312(5), b= 14·333(7), and c= 10·820(8)Å. The intensities of 935 planes, measured on a linear diffractometer; the final R was 0·052. Hydrogen-atom positions were located. The molecule possesses an approximate two-fold symmetry axis and the two planar six-membered rings have a dihedral angle of 38·6°. Phosphorin is the phosphorus analogue of pyridine and the planar C₅P ring has two equal phosphorus–carbon bond-lengths of 1·743(5)Å, and four equal carbon–carbon bond-lengths [mean 1·388(9)Å]. The CPC angle is 102·4(2)°.