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中文摘要：
在合成2-（3-羟基-2-吡啶基）-苯并咪唑的基础上,利用NMR（1H,13C,COSY,HSQC和HMBC）,MS,IR和UV进行了详细表征;通过X-ray单晶衍射测定该化合物的晶体结构,实验结果表明该晶体属于单斜晶系{空间群为P21/c,a=14.289（3）A,b=10.618（2）A,c=12.783（3）A,β=93.51（3）°,V=1935.8（7）A^3,Z=8},很好支持了波谱表征的结果.2-（3-羟基-2-吡啶基）-苯并咪唑的荧光光谱表明,该化合物在激发态下存在双质子转移现象,密度泛函计算结果合理解释了实验现象.
英文摘要：
2-（3-Hydroxy-2-pyridyl）benzimidazole was synthesized and characterized well by NMR （1H, 13C, COSY, HSQC, and HMBC）, MS, IR, and UV techniques, together with X-ray single crystal diffraction throughly. The diffraction experiment confirmed the results of spectroscopic analysis and showed that the crystal belongs to monoclinic, space group P21/c with unit cell parameters a=14.289（3）A, b=10.618（2）A, c=12.783（3）A, β=93.51（3）°, V=1935.8（7）A^3, and Z=8. The fluorescence spectrum indicates that there has been a double proton transfer in excited state. The results of density functional calculations provide a reasonable explanation on the experimental phenomena.
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