Crystal and molecular structure of the cyclo-adduct from exo-3-phenyl-3,4,5-triazatricyclo[5,2,1,02,6]dec-4-ene and p-bromophenyl isocyanate

Abstract

The molecular structure of the adduct formed from exo-3-phenyl-3,4,5-triazatricyclo[5,2,1,0^2,6]dec-4-ene and p-bromophenyl isocyanate, with concomitant loss of nitrogen, has been established as the 3-p-bromophenyl-10-phenyl-3,10-diazatricyclo[4,2,1,1^2,5]decan-4-one with the one-atom bridges trans, by the results of a single-crystal X-ray examination. The crystals belong to the monoclinic system, a= 18·27 ± 0·02, b= 6·34 ± 0·01, c= 15·16 ± 0·02 Å, β= 106° 30′± 12′. The space group is P2₁/c with four molecules in the unit cell. The final R-factor is 0·12 for 1658 reflexions. The principal geometrical features of the molecule are described.