Synthesis and Crystal Structure of N'-(4,6-dimethylpyrimidin-2-yl)-2-fluoro-6-chlorobenzoyl Thiourea Wang Jieping, Xue Sijia*# (Department of Chemistry, Central China Normal University, Wuhan 430079) (# Department of Chemistry, Shanghai Normal University, Shanghai 200234) Abstract The titled compound 2-fluoro-6-chlorobenzoylthiourea containing a substituted pyrimidine ring (C14H12FN4OClS) was synthesized and characterized by elemental analysis, IR, 1H NMR and X-ray single-crystal diffration. X-ray analysis reveals that the crystal belongs to monoclinic system, and the two aryl rings in the molecule is perpendicular approximately. In addition, there are intramolecular hydrogen bonds in the product molecule. The preliminary biological activity tests show that the titled compound has excellent inhibitory activity against weeds. Key words 4,6-Dimethyl-2-aminopyrimidine, Benzoylthiourea, Synthesis, Crystal structure, Biological activity N'-(4,6-二甲基嘧啶-2-基)-2-氟-6-氯苯甲酰硫脲的合成和晶体结构 王洁平 薛思佳*# (华中师范大学化学系 武汉 430079 #上海师范大学化学系 上海 200234) 摘要 合成了标题化合物 C14H12FN4OClS，Mr=338.79，通过元素分析，IR 和 1H NMR 对其结构进行了表征，并用 X 射线单晶衍射测定了该化合物的晶体结构。结果表明：晶体属单斜晶系，化合物的分子中有两个芳环平面，它们近乎垂直，并且在分子中存在两个分子内氢键。初步生物活性测定结果表明，目标化合物有着较好的除草活性。 关键词 4,6-二甲基-2-氨基嘧啶 苯甲酰硫脲 合成 晶体结构 生物活性 王洁平 女，26 岁，硕士生，现从事有机合成研究。联系人 上海市科委科学发展基金资助项目(BL200116) 2003-02-26 收稿，2004-02-13 接受 (PDF全文下载c04038)