MOLECULAR STRUCTURE OF 2-[BIS(2-CHLOROETHYL)-AMINO]-6-BUTYLOXYMETHYL-TETRAHYDRO-2H-1, 3,2-OXA-ZAPHOSPHORINE-2-OXIDE

<正> The molecular structure of 2-bis(2-chloroethyl)-amino]-6-t-butyloxymethyl-tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide has been determined by X-ray diffraction method.The crystal(C12H25Cl2NaO3P)is monoclinic with space group P21/a,a=11.965(2),b=10.335(3),c=14.543(5)A,β=102.24(2)°,V=1758(2)A3,Mr=347.22,Z=4,Dx=1.31 g/cm3,μ=4.66 cm-1,F(000)=736,R=0.051,Rw=0.054.The six-membered ring in this compound is in a distorted chair conformation with the t-butyloxymethyl group and the phosphoryl oxygen atom in equatorial positions which lead to cis-configuration.

MOLECULAR STRUCTURE OF 2-[BIS(2-CHLOROETHYL)-AMINO]-6-BUTYLOXYMETHYL-TETRAHYDRO-2H-1, 3,2-OXA-ZAPHOSPHORINE-2-OXIDE

The molecular structure of 2-bis(2-chloroethyl)-amino]-6-t-butyloxymethyl-tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide has been determined by X-ray diffraction method.The crystal(C12H25Cl2NaO3P)is monoclinic with space group P21/a,a=11.965(2),b=10.335(3),c=14.543(5)A,β=102.24(2)°,V=1758(2)A3,Mr=347.22,Z=4,Dx=1.31 g/cm3,μ=4.66 cm-1,F(000)=736,R=0.051,Rw=0.054.The six-membered ring in this compound is in a distorted chair conformation with the t-butyloxymethyl group and the phosphoryl oxygen atom in equatorial positions which lead to cis-configuration.