2-苯氧基乙酸苯胺超分子化合物的合成及其晶体结构

Synthesis and Crystal Structure of Supermolecular Compound 2-Benzoic Oxyl Acetic Acid and Aniline

合成了2-苯氧基乙酸苯胺(1),其结构经X-射线单晶衍射表征。结果表明,1属于单斜晶系,P2(1)空间群,晶胞叁数为:a=13.422(3),b=6.740(17),c=15.645(4),α=90.000°,β=110.047(5)°,γ=90.000°,V=1329.6(6)nm3,Z=4,Dr=1.225 mg.cm-3,F(000)=520,μ=0.086 mm-1,R1=0.1047,R2=0.0591,wR1=0.1237,wR2=0.1079。1通过分子间氢键形成层状结构。

2-Benzoic oxyl acetic acid and aniline super-molecular compound （1） was synthesized. The structure was characterized by X-ray single crystal diffraction. 1 belongs to monoclinic system, space group P2（1） with a =13.422（3） A, b =6.740（17）A, c =15.645（4） A, a =90.000°, β=110.047（5）°, y=90.000°, V=1 329.6（6） nm^3, Z=4, Dr=1.225 mg· cm^-3, F（000） = 520, μ =0.086 mm^-1, R1 =0. 104 7, R2 =0.059 1, wR1 =0. 123 7, wR2 =0. 107 9. Layer structure of 1 was formed by intramolecular hydrogen bond.