Acta Crystallographica Section B

Structural Science

Volume 55, Part 4 (August 1999)

research papers

Acta Cryst. (1999). B55, 525-529 [ doi:10.1107/S010876819900018X ]

Single-crystal structure analysis of a novel aryl phosphinate diglycidyl ether

C.-S. Cho, W.-B. Liau and L.-W. Chen

Abstract: The crystal structure of 10-[2,5-bis(2,3-epoxy-1-propoxy)phenyl]-9-oxa-10-phosphaphenanthren-10-one has been studied by single-crystal X-ray diffraction. The unit cell of C₂₄H₂₁O₆P, M_r = 436.4, is triclinic, P1, with a = 8.507 (3), b = 10.613 (4), c = 12.457 (3) Å, [alpha] = 80.05 (3), [beta] = 71.38 (2), [gamma] = 76.69 (3)°, V = 1031.1 (6) Å³, Z = 2, D_x = 1.406 Mg m^-3 and [mu] (Mo K [alpha] ) = 0.17 mm^-1. The final R (wR) is 0.063 (0.057) {w = 1/[ [sigma] ²(F) + 0.0004F²]} for 3619 unique reflections measured at 295 K. The aryl phosphinate group bonded to the central phenyl ring comes close to one of the two glycidyl ether groups, the epoxide ring of which is ordered. The epoxide ring far from the aryl phosphinate group is disordered. The NMR chemical shifts of the protons of the glycidyl ether group close to the aryl phosphinate group are reduced by the `ring-current effect'.