Sss. Raj et al., SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF 2,6-BIS-(N-METHYLENEMORPHOLINO)-4-TER-BUTYLPHENOL, Journal of crystallographic and spectroscopic research, 23(7), 1993, pp. 607-610
The crystal and molecular structure of the title compound, C20H32N2O3,
has been determined from X-ray diffraction data using CuKalpha radiat
ion (lambda = 1.5418 angstrom). The compound crystallizes in triclinic
space group P1BAR with a = 8.828(1), b = 18.680(1), c = 6.272(2)angst
rom, alpha = 93.42(1), beta = 90.24(2), gamma = 77.93(1)-degrees, V =
1009.4(2)angstrom3, and Z = 2. The structure was solved by direct meth
ods and the full-matrix least-squares refinement leads the final R-fac
tor to 0.065 for 3481 observed reflections with I greater-than-or-equa
l-to 3sigma(1). The phenyl ring is planar and the morpholino rings ass
ume perfect ''chair'' conformation. The molecules are held together by
van der Waals forces.