Synthesis And Crystal Structure Of N-3-(Dimethylpyrimidine)-N-4-(Tri-O-Acetyl-Xylosyl) Thiourea

The crystal structure of the title compound (C18H24N4O7S, M-r = 440.47) was prepared by the condensation of 2,3,4-tri-O-acetyl-beta-D-xylopyranosyl isothiocyanate with 4,6-dimethylpyrimidin-2-amine and structurally determined by single-crystal X-ray diffraction. The crystal belongs to the monochnic system, space group P2(1) with a = 7.5500(17), b = 10.498(2), c = 14.208(3) angstrom, beta = 99.09(4)degrees, V = 1.109.2(4) angstrom(3), Z = 2, D-c = 1.319 g/cm(3), mu = 0.191, F(000) = 464, Flack = 0.00(15), R = 0.0684 and wR = 0.1103. In the crystal structure, the xylose ring adopts a C-4(1) chair conformation. Due to the hydrogen bonding interaction between N(4)-H(4A) and N(1), the pyrimidine ring is well positioned.