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N’(4,6-二甲基嘧啶-2-基)苯甲酰硫脲的晶体结构及除草活性
Crystal Structure and Herbicidal Activity of N-Benzoyl-N’-(4,6-dimethylpyrimidin-2-yl)-thiourea
【摘要】 经对N?(4,6-二甲基嘧啶-2-基)苯甲酰硫脲进行初步生物活性测定结果表明,该化合物具有除草活性,现经除草活性复筛测试发现,它主要抑制阔叶杂草的生长,对禾本科作物较安全。为了进一步了解该类化合物除草活性与结构的关系,也为设计新的除草剂分子提供帮助,对标题化合物进行了X射线单晶衍射,它的晶体结构数据为分子简式C14H14N4OS,分子量为286.35,三斜晶系,空间点群为P,a=8.216(1),b=9.503(1),C=9.942(11)?a=74.995(2),b=76.774(2),g=70.305,V=697.2(2)3,Z=2,DC=1.364g/cm3,F(000)=300,m(MoKa)=0.233mm-1,R=0.0457,wR=0.0965。
【Abstract】 The title compound N-benzoyl-N-(4,6-dimethyl-pyrimidin-2-yl)-thiourea has been synthesized and characterized to investigate the relationship between its structure and herbicidal activity. Crystallographic data: C14H14N4OS, Mr = 286.35, triclinic, space group P, a = 8.22(1), b = 9.503(1), c = 9.942(11) , a = 74.995(2), b = 76.774(2), g = 70.305(2), V = 697.2(2) 3, Z = 2, DC = 1.364 g/cm3, F(000) = 300, m(MoKa) = 0.233 mm-1, R = 0.0457 and wR = 0.0965.
【Key words】 crystal structure; herbicidal activity; benzoyl thiourea; 4; 6-dimethyl-2-aminopyrimidine;
- 【文献出处】 结构化学 ,Chinese Journal of Structural Chemistry , 编辑部邮箱 ,2004年04期
- 【分类号】TQ457
- 【被引频次】20
- 【下载频次】177