Abstract
The molecular structure of 5-phenyl-2-oxazolyl isocyanate dimer (II), the thermal decomposition product of benzyl 5-phenyl-2-oxazolecarbamate (I), was determined as 2-phenyl-6-(5-phenyl-2-oxazolyl) oxazolo [3, 2-a] [1, 3, 5] triazine-5, 7-dione (IV) by X-ray analysis. The crystal is triclinic, space group P1 with the following unit cell dimensions : a=8.472(3), b=13.498(3), c=7.808(2) A, α=97.53(2)°, β=104.07(3)°, γ=80.58(2)° and Z=2. The structure was solved by a direct method and refined by the least-squares method to R=0.057. No hydrogen bonding was observed in the crystal. The molecules were held together by the normal van der Waals contacts especially by the prominent stacking interaction between the oxazolotriazine moiety and neighboring benzene rings.
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