A. Perrakis et al., MOLECULAR AND CRYSTAL-STRUCTURE OF O-6-DIMETHYLAMINO-4-(TRICYCLO[3.3.1.13,7]DEC-1-YL) METHYL-1,3,5-TRIAZINE, Journal of crystallographic and spectroscopic research, 23(10), 1993, pp. 821-824
The crystal and molecular structure of the title compound has been det
ermined by X-ray crystallographic studies. The compound crystallizes i
n the triclinic space group P1BAR with a = 10.777(8) angstrom, b = 13.
003(9) angstrom, c = 13.045(8) angstrom, alpha = 72.26-degrees-(4), be
ta = 104.25-degrees-(5), gamma = 108.87-degrees-(5) and Z = 4. The str
ucture was solved by direct methods and full-matrix least-squares refi
nement converged to a final R = 0.083 for 2656 observed reflections. T
he two independent molecules differ only in orientation of the adamant
yl moiety. Both of them utilize the two hydrogens of the amine nitroge
n N(7) to make hydrogen bonds linking the molecules into infinite chai
ns which are held together by van der Waals interactions. The conforma
tion of the substituents at position 6 of the triazine ring is such th
at the torsion angle is close to 0-degrees for both independent molecu
les of the asymmetric unit.