Molecular and crystal structure of 2-amino-6-dimethylamino-4-(tricyclo[3.3.1.1^{3, 7}]dec-1-yl) methyl-1,3,5-triazine

Abstract

The crystal and molecular structure of the title compound has been determined by X-ray crystallographic studies. The compound crystallizes in the triclinic space groupP¯1 witha=10.777(8) Å,b=13.003(9) Å,c=13.045(8) Å, α=72.26°(4),β=104.25°(5), γ=108.87°(5) andZ=4. The structure was solved by direct methods and full-matrix least-squares refinement converged to a finalR=0.083 for 2656 observed reflections. The two independent molecules differ only in orientation of the adamantyl moiety. Both of them utilize the two hydrogens of the amine nitrogen N(7) to make hydrogen bonds linking the molecules into infinite chains which are held together by van der Waals interactions. The conformation of the substituents at position 6 of the triazine ring is such that the torsion angle is close to 0° for both independent molecules of the asymmetric unit.