Molecular and crystal structure of 2-amino-4-(tricyclo[3.3.1.1.3,7]decyl-1)-6-N-methyl-piperazino-1,3,5-triazine

The crystal and molecular structure of the title compound has been determined by X-ray diffraction. The compound crystallizes in the rhombohedral space group R3 with a=b=c=17.804(9)Å, α=β=γ=116.48(2)° and Z=6. The structure was solved by direct methods and a full-matrix least-squares refinement converged to a final R=0.061 for 1922 unique reflections. The adamantyl moiety is statically disordered in the crystal structure, and adopts two conformations related by the rotation of approximately 60° about the C(4)-C(9) bond. A hydrogen bond between N(7)⋯N(21) arranges molecules into hexamers stacked along the threefold axis and provides for empty hydrophobic channels bounded by the adamantyl groups. © 1992 Plenum Publishing Corporation