Synthesis and Crystal Structure of 3-(5-Amino-4-ethoxycarbonyl-3-methylthio- 1-H- pyrazolyl)-5-phenyl-1,2,4-triazine

被引：0
|
作者：
文丽荣
王啸
李明
翟丽娜
机构：
[1] CollegeofChemistryandMolecularEngineering,QingdaoUniversityofScienceandTechnology,Qingdao,China
来源：
结构化学 | 2006年 / 04期
关键词：
D O I：
暂无
中图分类号：
O621.3 [有机合成化学];
学科分类号：
摘要：
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) ’, β = 109.803(13)’, V = 2237(2) ’3, Z = 4, Dc = 1.467 g/cm3, μ = 0.225 mm’1, 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.
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页码：485 / 490
页数：6
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