【摘 要】
：
The title compound,1-(4-chlorophenyl)-3-(2-nitrophenyl)-1-triazene(C12-H9ClN4O2,Mr=276.68)crystallized in the orthorhombic system,space group Pbca(# 15),with a=
【机 构】
：
Department of Chemistry
论文部分内容阅读
The title compound,1-(4-chlorophenyl)-3-(2-nitrophenyl)-1-triazene(C12-H9ClN4O2,Mr=276.68)crystallized in the orthorhombic system,space group Pbca(# 15),with a=7.040(1),b=13.520(2),c=26.253(3)A,V=2498.8(6)A 3,Dc=1.471g/cm3,Z=8,μ(MoKα)=0.309mm-1,F(000)=1136.The final R and wR are 0.0345 and 0.0608 for 2428 observed reflections(I ＞ 2σ(Ⅰ)),respectively.The title molecule has trans geometry about the central triazenyl linkage.The dihedral angle between the two phenyl rings is 5.5(2)°and the twist angle for the nitro group is 6.9(2)°.The whole molecule is almost coplanar,which results mainly from the intramolecular hydrogen bonds and the resonance effect in the middle of the skeleton.In the crystal structure,the inversion-centre-related molecules are packed anti-pares are mainly the hydrogen bonds and van der Waals interactions.
其他文献
When two representations of the Lie algebra are coupled, the coupling integral kernels are presented to relate the coupled to uncoupled group-related coherent s
Tetraacetyldiazidoacetylhexaazaisowurtzitane(TADAIW)was synthesized by hydrogenolysis debenzylation,chloroacetylation and azidation,starting with tetraacetyldib
标题化合物C1 5H1 6NO3由苯甲醛、醋酸铵、乙酰乙酸乙酯、麦氏酸在微波辐射下干反应而得。结构通过单晶X 射线衍射法测定 ,其晶体属单斜晶系 ,空间群P1 ,a =7.870 (1 ) ,b =9
在B3LYP/ 6- 311+G 水平上 ,对Na -呋喃体系可能存在的弱相互作用复合物进行了全自由度能量梯度优化 ,发现了Na -呋喃体系存在两个能量极小结构A、B ,其中 ,结构A是Na原子的
We calculate the corrections of extended technicolor (ETC) interactions to the asymmetry parameter ALR and the polarized parameters pLt, PtR of the process e+ e
在B3 LYP/6-311 G(d,p)水平上,对氧原子簇Oxy(x=2～6,y=-2～2)的结构、能学与光谱性质进行了量子化学从头计算,对3O2和2O2+的基态和激发态进行了CASSCF计算.结果表明,氧分子及其
A novel reactive polyorganosiloxane containing nitro groups was first prepared by acid-catalyzed equilibration polymerization. The monomer, 3-(4-nitrophenoxy)pr
用AM1方法计算了 2 0个卤素及三卤甲基侧取代氧、氮、硫杂大环化合物的电子结构。结果表明 ,这类杂环化合物分子的总能量 ,最高占据分子轨道能量 ,杂环中氧、氮、硫原子的电
为探究吕家坨井田地质构造格局,根据钻孔勘探资料,采用分形理论和趋势面分析方法,研究了井田7
We adopt an algebraic method to study the two-mode two-photon Jaynes Cummings model governed by the Milburn equation and find an exact solution of Milburn equat