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, Mr = 429.29) has been synthesized by the reaction of 2-amino-5-styryl-1,3,4-thiadia- zole 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 with a = 7.0111(9), b = 10.6587(14), c = 12.5228(16) ’, α = 79.724(2), β = 78.275(2), γ = 72.604(2)°, V = 867.43(19) ’3, Z = 2, Dc = 1.644 g/cm3, μ = 2.511 mm─1, F(000) = 432, R = 0.0448 and wR = 0.1198 for 2382 observed reflections with I > 2σ(I). X-ray analysis reveals that the molecules, in which every one is nearly planar, are linked by paired N’H···O hydrogen bonds into R22(8) dimers and stacked through π-π interactions.