| Synthesis and Crystal Structure of 3-Phenyi- 6-（4-methylphenyi）-1,2,4-triazolo[4,3-b]-1,2,4-triazine |
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| 引用本文： | 李明,翟丽娜,文丽荣,王啸,杜锋. Synthesis and Crystal Structure of 3-Phenyi- 6-（4-methylphenyi）-1,2,4-triazolo[4,3-b]-1,2,4-triazine[J]. 结构化学, 2007, 26(1): 98-102 |
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| 作者姓名： | 李明 翟丽娜 文丽荣 王啸 杜锋 |
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| 作者单位： | College of Chemistry and Molecular Engineering Qingdao University of Science and Technology，College of Chemistry and Molecular Engineering，Qingdao University of Science and Technology，College of Chemistry and Molecular Engineering，Qingdao University of Science and Technology，College of Chemistry and Molecular Engineering，Qingdao University of Science and Technology，College of Chemistry and Molecular Engineering，Qingdao University of Science and Technology，Qingdao 266042，China，Qingdao 266042，China，Qingdao 266042，China，Qingdao 266042，China，Qingdao 266042，China |
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| 基金项目： | 国家自然科学基金 , 山东省自然科学基金 |
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| 摘 要： | 1 INTRODUCTION The fused heterocycles bearing 1,2,4-triazine have attracted considerable attention in recent years owing to their biological and pharmaceutical activi- ties[1～3]. The 1,2,4-triazine core is a versatile synthe- tic platform to access a wide range of condensed heterocyclic ring systems via inter- and intramolecu- lar Diels-Alder reaction with a vast array of dieno- philes[4～6]. IBD (iodobenzene diacetate) is commer- cially available and used as benign non-metallic oxidant…
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| 关 键 词： | 1,2,4-三嗪 1,2,4-三唑 晶体结构 化学分析 IBD |
Synthesis and Crystal Structure of 3-Phenyl-6-(4-methylphenyl)-1,2,4-triazolo[4,3-b]-1,2,4-triazine |
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| LI Ming,ZHAI Li-Na,WEN Li-Rong,WANG Xiao,DU Feng. Synthesis and Crystal Structure of 3-Phenyl-6-(4-methylphenyl)-1,2,4-triazolo[4,3-b]-1,2,4-triazine[J]. Chinese Journal of Structural Chemistry, 2007, 26(1): 98-102 |
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| Authors: | LI Ming ZHAI Li-Na WEN Li-Rong WANG Xiao DU Feng |
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| Affiliation: | College of Chemistry and Molecular Engineering,Qingdao University of Science and Technology, Qingdao 266042, China |
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| Abstract: | The crystal structure of the title compound 3-phenyl-6-(4-methylphenyl)-1,2,4-triazolo[4,3-b]-1,2,4-triazine (C17H13N5,Mr = 287.32) was synthesized and determined by singlecrystal X-ray diffraction.It belongs to monoclinic,space group P21/c,with a = 11.4038(18),b =11.7675(18),c = 11.0904(18) (A),β = 108.439(7)°,V= 1411.9(4)(A)3,Z = 2,Dc = 1.352 g/cm3,μ =0.085 mm-1,F(000) = 600,R = 0.0445 and wR = 0.1041 for 2888 unique reflections with 1501 observed ones (I ＞2σ(I)).In the crystal structure,the triazine moiety is almost coplanar with the triazole ring,and the largest deviation for atom C(4) is -0.026 (A).The intermolecular hydrogen bond in the crystal lattice plays an important role in stabilizing the structure. |
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| Keywords: | 1,2,4-triazine,1,2,4-triazole,crystal structure,synthesis,IBD Crystal Structure intermolecular hydrogen bond crystal structure lattice role deviation atom triazine triazole ring unique space group synthesized diffraction compound |
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