【摘 要】
：
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-
【机 构】
：
School of Chemical and Environmental Engineering,College of Chemistry
【基金项目】
：
the National Natural Science Foundation of China;the Project for Distinguished Young Scholars from Hubei Provincial Department of Education
论文部分内容阅读
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 Pī with a = 7.0111(9), b = 10.6587(14), c = 12.5228(16)(A),α= 79.724(2), β= 78.275(2),γ= 72.604(2)°, V = 867.43(19)(A)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.
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