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Abstract
The structural characterization of PhN(PCl2)2 and m-MeC6H4N(PCl2)2 in solution by 31P NMR spectroscopy and of PhN(PCl2)2 in the solid by single crystal X-ray analysis is reported. PhN(PCl2)2 adopts a C2v conformation in the solid, in which the phosphorus lone pair electrons are eclipsed and both trans to the Ph group. The C2v conformation assignment for PhN(PCl2)2 and m-MeC6H4N(PCl2)2 is consistent with the low temperature 31P NMR spectral data. PhN(PCl2)2 crystallizes in space group P21, a=6.360(2) A, b=25.618(11) A, c=7.146(2) A, β=90.62(2) deg, Z=4, with two independent molecules per unit cell. The structure was solved and refined by direct methods to R=0.058 and Rw=0.078 for 671 independent reflections. Mean distances (A) and angles (deg) are: P-Cl, 2.036(13); P - N, 1.69(3); <P-N-P, 110.8(8); and <Cl-P-Cl, 100.1(6).
