[Crystal and molecular structure of 1,3,5-tripropanoylperhydro-s-triazine]

The 1,3,5-tripropanoylperhydro-s-triazine has been synthesized and its molecular formula established by means of H-1 and C-13 NMR, IR and mass spectroscopy. The X-ray structure of this compound is hexagonal, P6(3), M(r) = 255.3, a = 12.083(5), c = 5.362(2)Angstrom, V = 678.0(4)Angstrom(3), Z = 2, D-x = 1.25g.cm(-3), lambda(CuK alpha) = 1.54178 Angstrom, mu = 7.525cm(-1), T = 291 K, R = 0.042 for 478 observed reflections with I > 2.5 sigma(I). The structure consists of isolated molecules, where the heterocycle is characterized by a distorted chair conformation. The three substituents C2H5CO occupy positions on the same side of the cycle and are oriented in a way to assume conjugation between the nitrogen free electron pair and the shell of the carbonyl group

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