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水合5-(4-羟基苯酚)四氮唑的溶剂热合成及其晶体结构
  • 期刊名称：合成化学, 2009, 17, 249-251
  • 时间：0
  • 分类：O626.28[理学—有机化学;理学—化学] O76[理学—晶体学]
  • 作者机构：[1]合肥师范学院化学化工系,安徽合肥230061
  • 相关基金：国家自然科学基金资助项目（20871039）
  • 相关项目：封装催化活性配合物的金属有机骨架材料的制备及其选择性催化研究
关键词： 5-(4-羟基苯酚)四氮唑, 溶剂热合成, 晶体结构, 4-（2H-tetrazol-5-yl） phenol, solvent-thermal synthesis, crystal structure
中文摘要：

以舡羟基苯氰为原料，用溶剂热法合成了水合5-（年羟基苯酚）四氮唑晶体[（C7H6N4O）·1．5H2O,1]，其结构经^1H NMR，IR，元素分析及X-单晶衍射表征。1属单斜晶系，C2／c空间群，晶胞参数：a=1．4872（3）nm,b=0．9923（2）nm，c=1．3048（2）nm，β=113．724（3）°，V=1．7628（5）nm^3，Dc=1．365g·cm^-3，F（000）=760,Z=8，μ（MoKα）=0．104mm^-1，R1=0．0505，wR2=0．1176。1中存在强烈的分子间氢键和π-π堆积作用。

英文摘要：

4-（2H-tetrazol-5-yl） phenol hydrate[ （ C7H6N4O） · 1.5H2o, 1 ] was synthesized by hydrothermal synthesis from 4-hydroxylphenyl cyanide. The structure was characterized by ^1 H NMR, IR, elemental analysis and X-ray diffraction analysis. 1 belongs to monoclinic, space group C2/c with a=1.487 2（3） nm, b =0.992 3（2） nm, c=1.304 8（2） nm, β= 113. 724 （3）°, V= 1.762 8（5） nm^3, Dc = 1. 365 g · cm^-3, F（000） =760, Z = 8,μ（MoKα） =0. 104 mm^-1, R1 = 0.050 5, wR2 = 0.117 6. There exist plentiful and strong intermoleeular hydrogen bonds and π- π interaction in the crystal structure of 1.

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封装催化活性配合物的金属有机骨架材料的制备及其选择性催化研究
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