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| Synthesis and Crystal Structure of 3,（5-Amino-4-ethoxycarbonyl-3-methylthio-1-H- pyrazolyl）-5-phenyl-1,2,4-triazine | |
| 引用本文： | 文丽荣,王啸,李明,翟丽娜. Synthesis and Crystal Structure of 3,（5-Amino-4-ethoxycarbonyl-3-methylthio-1-H- pyrazolyl）-5-phenyl-1,2,4-triazine[J]. 结构化学, 2006, 25(4): 485-490 |
| 作者姓名： | 文丽荣 王啸 李明 翟丽娜 |
| 作者单位： | College of Chemistry and Molecular Engineering Qingdao University of Science and Technology Qingdao 266042 China，College of Chemistry and Molecular Engineering Qingdao University of Science and Technology Qingdao 266042 China，College of Chemistry and Molecular Engineering Qingdao University of Science and Technology Qingdao 266042 China，College of Chemistry and Molecular Engineering Qingdao University of Science and Technology Qingdao 266042 China |
| 摘 要： | 1 INTRODUCTION Substituted 1,2,4-triazines represent an important class of nitrogen-containing heterocycles. The 1,2, 4-triazine core is a versatile synthetic platform to access a wide range of condensed heterocyclic ring systems via intramolecular Diels-Alder reactions with a vast array of dienophiles[1~5]. In addition, 1,2, 4-triazines have been associated with diverse activi- ties such as antihypertension and inhibition of pla- telets[6] and antiinflammatory[7], and been a key com- po… |
| 关 键 词： | 合成 晶体结构 3,（5-氨基-4-乙氧基羰基-3-甲基硫代-1-H- 吡唑基）-5-苯基-1,2,4-三嗪 X射线分析 |
Synthesis and Crystal Structure of 3-(5-Amino-4-ethoxycarbonyl-3-methylthio-1-H- pyrazolyl)-5-phenyl-1,2,4-triazine |
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| WEN Li-Rong,WANG Xiao,LI Ming,ZHAI Li-Na. Synthesis and Crystal Structure of 3-(5-Amino-4-ethoxycarbonyl-3-methylthio-1-H- pyrazolyl)-5-phenyl-1,2,4-triazine[J]. Chinese Journal of Structural Chemistry, 2006, 25(4): 485-490 | |
| Authors: | WEN Li-Rong WANG Xiao LI Ming ZHAI Li-Na |
| Affiliation: | College of Chemistry and Molecular Engineering,Qingdao University of Science and Technology, Qingdao 266042, China |
| Abstract: | The crystal structure of 3-(5-amino-4-ethoxycarbonyl-3-methylthio-1-H-pyra- zolyl)-5-phenyl-1,2,4-triazine (C16H16N6O2S, Mr = 356.41) has been determined by single-crystal X-ray diffraction. It belongs to monoclinic, space group P21/c with a = 16.961(14), b = 7.297(6), c = 13.857(11)(A), β = 109.803(13)°, V = 2237(2)(A)3, Z = 4, Dc = 1.467 g/cm3, μ = 0.225 mm1, F(000) = 744, R = 0.0477 and wR = 0.1156 for 2847 unique reflections with 1713 observed ones (I ＞2σ(I)). X-ray analysis reveals that there exist both intra- and intermolecular hydrogen bonds in the crystal lattice. |
| Keywords: | 1 2 4-triazine pyrazole crystal structure synthesis |
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