Molecular and Crystal Structure of 1-(4-Chlorophenyl)-3-(4-Nitrophenyl)-1-Triazene

作     者：ZHANG De\|Chun a\ FEI Zheng\|Hao b\ ZHANG Yan\|Qiu a\ YU Kai\|Bei c a(Department of Chemistry, Suzhou University, Suzhou 215006) b(Department of Chemistry, Yancheng Teacher’s College, Yancheng 224002) c(Chengdu Center of Analysis and 

作者机构：苏州大学 江苏 苏州 2 1 50 0 6 盐城师范学院 江苏 盐城 224002 中科院成都分析测试中心 四川 成都 610041 

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

年 卷 期：2000年第19卷第1期

页      面：19-22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：江苏省教育厅自然科学基金 

主　　题：diaryltriazene synthesis crystal structure 

摘      要：The title compound,1\|(4\|Chlorophenyl)\|3\|(4\|Nitrophenyl)\|1\|Triazene, crystallized in the orthorhombic system, space group Pbca, with a=13.793(2), b=10.843(2), c=16.851(2), V=2520.2(7) 3 D c =1.458g/cm 3, Z =8, C 12 H 9ClN 4O 2, M r=276.68, μ (Mo Kα )=0.306mm -1 , F (000)=1136. The structure was refined to R=0.0372, wR =0.0786 for 1216 reflections ( I2σ(I )). The title molecule has trans geometry about the central triazenyl linkage. The dihedral angle between the two phenyl rings is only 5.8(2)°. They are also nearly coplanar with the triazenyl. The screw related molecules are connected by hydrogen bond N(3)-H…O(2) and form the zigzag chains. The polar molecular chains are antiparallelly stacked through π…π interactions. The interstack interaction is mainly van der Waals force.