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The crystal and molecular structure of the title compound has been determined by X-ray diffraction. The compound crystallizes in the rhombohedral space groupR3 witha=b=c=17.804(9)Å,a=ß=?=116.48(2)° andZ=6. The structure was solved by direct methods and a full-matrix least-squares refinement converged to a finalR=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.

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