Synthesis and Crystal Structure of 1-[(1-Phenyl-4-cyano)pyrazol-5-yliminomethyl]-2-nitroiminoimidazolidine

作     者：CHEN Wei Qiang WEN Lin Hong JIN Gui Yu ② (Institute of Elemento organic Chemistry, State Key Laboratory of Elemento organic Chemistry, Nankai University , Tianjin, 300071) 

作者机构：南开大学 元素有机化学国家重点实验室 天津 30 0 0 71 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学(英文版))

年 卷 期：2000年第19卷第4期

页      面：259-262页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 0702[理学-物理学] 

基　　金：国家自然科学基金 

主　　题：crystal structure neonicotinoid insectide 1 [(1 Phenyl 4 cyano)pyrazol 5 yl iminomethyl] 2 nitroiminoimidazolidine synthesis 

摘      要：The title compound 1 [(1 Phenyl 4 cyano)pyrazol 5 yliminomethyl] 2 nitroiminoimidazolidine 2 (C 14H 14N 8O 2, M r =326.33) was obtained by the reaction of (1 Phenyl 4 cyano)pyrazol 5 yliminomethyl ethylether with 2 nitroiminoimidazoli dine in the presence of sodium hydride. The crystal is monoclinic, space group P2 1/n, with unit cell constants a =7.310(1), b =17.218(2), c =11.669(1) , β=92.552(2)°, Z=4, V=1467.2(3)  3, D c =1.477g/cm 3, F(000)=680, μ(MoKα) =0 107 mm -1, R=0.0506, wR= 0.1398 for 2593 observed reflections( I2σ(I )). In this compound the nitroimino group is coplanar with the imidazolidine ring and pyrazole ring plane; shorter C-N bond lengths and longer exocyclo C=N bond length were observed, suggesting a formation of a fully delocalized system. The dihedral angles between the plane formed by the O(1), O(2), N(1), N(2), C(1), N(4), C(4), N(5), C(5), N(6), N(7), C(7), C(6) atoms and phenyl ring is 48.5°. The interatomic distance for N(4)-N(6) is 4.61 . The intermolecular hydrogen bonding N(3)-H…N(8) is observed.