Pg. Jones et A. Weinkauf, STRUCTURES OF THE TRANS AND CIS ISOMERS OF 5-DIOXO-3,5-DIISOPROPOXY-1,3,5-THIADIPHOSPHORINANE, Zeitschrift fur Kristallographie, 209(2), 1994, pp. 177-179
Both isomers of 5-dioxo-3,5-diisopropoxy-1,3,5-thiadiphosphorinane hav
e two molecules in the asymmetric unit. The trans isomer crystallises
in P1BAR with a = 9.635 (3) angstrom, b = 10.516 (3) angstrom, c = 14.
146 (4) angstrom, alpha = 93.20(2), angstrom beta = 100.28 (2) angstro
m, gamma = 90.18(2)-degrees (at 178 K), final R(F) 0.041. The cis isom
er crystallises in P2(1)/n with a = 8.459(4) angstrom, b = 11.410(4),
angstrom c = 29.458(12) angstrom, beta = 93.12(3)-degrees (at 293 K),
final R(F) 0.046. The rings adopt a chair conformation. All four rings
display closely similar dimensions. The P-C-P angles are wide (120-de
grees). In the cis isomer the bulky substituents are both axial, where
as in the trans isomer one substituent is forced to be equatorial.