Synthesis and crystal structure of 1-(4-bromobenzoyl)-3-[5-(E)-styryl-1,3,4-thiadiazol-2-yl]urea

The title compound 1-(4-bromobenzoyl)-3-[5-(E)-styryl-1,3,4-thiadiazol-2-yl]urea (C18H13BrN4O2S, M-r = 429.29) has been synthesized by the reaction of 2-amino-5-styryl-1,3,4-thiadiazole with 4-bromobenzoyl isocyanate, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P (1) over bar with a = 7.0111(9), b = 10.6587(14), c = 12.5228(16) angstrom, alpha = 79.724(2), beta = 78.275(2), gamma = 72.604(2)degrees, V = 867.43(19) angstrom(3), Z = 2, D-c = 1.644 g/cm(3), mu = 2.511 mm(-1), F(000) = 432, R = 0.0448 and wR = 0. 1198 for 2382 observed reflections with I > 2 sigma(I). X-ray analysis reveals that the molecules, in which every one is nearly planar, are linked by paired N-H center dot center dot center dot O hydrogen bonds into R-2(2)(8) dimers and stacked through pi-pi interactions.