合成了3,3-二硝基氮杂环丁烷(DNAZ)的酰基衍生物N-乙酰基-3,3-二硝基氮杂环丁烷(ADNAZ)和N-甲酰基-3,3-二硝基氮杂环丁烷(FDNAZ),并得到可用于X射线衍射的单晶.ADNAZ属于正交晶系,P212121空间群,晶胞参数a=0.6844(3)nm,b=0.6994(3)nm,c=...合成了3,3-二硝基氮杂环丁烷(DNAZ)的酰基衍生物N-乙酰基-3,3-二硝基氮杂环丁烷(ADNAZ)和N-甲酰基-3,3-二硝基氮杂环丁烷(FDNAZ),并得到可用于X射线衍射的单晶.ADNAZ属于正交晶系,P212121空间群,晶胞参数a=0.6844(3)nm,b=0.6994(3)nm,c=1.6948(6)nm,V=0.8112nm3,Z=4.FDNAZ属于单斜晶系,P21/c空间群,晶胞参数a=1.0322(4)nm,b=0.6054(2)nm,c=1.1268(4)nm,β=100.135(5)°,V=0.6932nm3,Z=4.用ADF(Amsterdam density functional)的DFT(Density functional theo-ry)方法对两个化合物进行了几何优化和频率计算,得到了其几何构型参数、原子Hirshfeld电荷、原子间Mayer键级和前线轨道能量及组成.理论分析表明,两个化合物中活性较大的原子均为酰基氧原子.展开更多
Ten N 1 pyridylmethyl N arylacyl urea derivatives were synthesized by the nucleophilic addition reaction of N alkyl (2 chloro 5 pyridylmethyl)amine with 2,6 difluorophenylacyl isocyanate, and characterized by IR, 1H N...Ten N 1 pyridylmethyl N arylacyl urea derivatives were synthesized by the nucleophilic addition reaction of N alkyl (2 chloro 5 pyridylmethyl)amine with 2,6 difluorophenylacyl isocyanate, and characterized by IR, 1H NMR and elemental analysis. Preliminary biological tests showed that these compounds have good insecticidal activity against Nephotettix cincticeps and Mosquito larvae , especially, compounds 3f and 3j which could give 100% mortality for Nephotettix cincticeps in dosage with mass fraction of 5×10 -5 % .展开更多
文摘合成了3,3-二硝基氮杂环丁烷(DNAZ)的酰基衍生物N-乙酰基-3,3-二硝基氮杂环丁烷(ADNAZ)和N-甲酰基-3,3-二硝基氮杂环丁烷(FDNAZ),并得到可用于X射线衍射的单晶.ADNAZ属于正交晶系,P212121空间群,晶胞参数a=0.6844(3)nm,b=0.6994(3)nm,c=1.6948(6)nm,V=0.8112nm3,Z=4.FDNAZ属于单斜晶系,P21/c空间群,晶胞参数a=1.0322(4)nm,b=0.6054(2)nm,c=1.1268(4)nm,β=100.135(5)°,V=0.6932nm3,Z=4.用ADF(Amsterdam density functional)的DFT(Density functional theo-ry)方法对两个化合物进行了几何优化和频率计算,得到了其几何构型参数、原子Hirshfeld电荷、原子间Mayer键级和前线轨道能量及组成.理论分析表明,两个化合物中活性较大的原子均为酰基氧原子.
文摘Ten N 1 pyridylmethyl N arylacyl urea derivatives were synthesized by the nucleophilic addition reaction of N alkyl (2 chloro 5 pyridylmethyl)amine with 2,6 difluorophenylacyl isocyanate, and characterized by IR, 1H NMR and elemental analysis. Preliminary biological tests showed that these compounds have good insecticidal activity against Nephotettix cincticeps and Mosquito larvae , especially, compounds 3f and 3j which could give 100% mortality for Nephotettix cincticeps in dosage with mass fraction of 5×10 -5 % .
