Synthesis and Crystal Structure of Thiazole Orange Derivative
Synthesis and Crystal Structure of Thiazole Orange Derivative
复制标题
噻唑橙衍生物的合成及晶体结构
DOI：
10.1007/s10870-011-0080-0
复制
发表时间：
2011-08-01
影响因子：
0.8
通讯作者：
Zhang, Baolian
中科院分区：
文献类型：
--
作者：
Fei, Xuening;Gu, Yingchun;Zhang, Baolian
以4-甲基喹啉盐和苯并噻唑盐为原料，合成了噻唑橙子衍生物，经核磁共振氢谱和质谱确证，结晶后得到噻唑橙子衍生物水合物，并对其进行了单晶X射线衍射表征。晶体属三斜晶系，空间群P-1，晶胞参数a = 10.162（2）<$，b = 10.501（2）<$，c = 11.040（2）<$，α = 92.17（3）o，β = 117.10（3）o，γ = 92.28（3）o，V = 1045.9（4）<$3，Z = 2，Dc = 1.380 mg/m − 3，μ = 0.2 mm − 1，F（000）= 460，最终R = 0.0625，wR = 0.1862，对于3658个观察到的反射（I> 2 σ（I））。合成了含结晶水的噻唑橙子衍生物，并用1HNMR、MS和单晶X-射线衍射进行了表征 .
AbstractThe title compound of Thiazole Orange derivative was synthesized by the reaction of benzothiazolium and 4-methyl quinoline salts, which was determined by 1HNMR and MS. A crystalline hydrate of thiazole orange derivative was obtained when the crystal formed and characterized by single-crystal X-ray diffraction. The crystal belongs to the Triclinic system, and the cell parameters of space groupP-1 werea= 10.162(2) Å,b= 10.501(2) Å,c= 11.040(2) Å, α = 92.17(3)o, β = 117.10(3)o, γ = 92.28(3)o,V= 1045.9(4) Å3,Z= 2,Dc= 1.380 mg/m−3, μ = 0.2 mm−1,F(000) = 460, and the finalR= 0.0625 andwR= 0.1862 for 3658 observed reflections (I> 2σ(I)). The two aromatic rings linked by the methylene bridged chain are a coplanar structure.Graphical AbstractThe title compound of Thiazole Orange derivative with crystal water was synthesized and characterized by1HNMR, MS, and single-crystal X-ray diffraction .