羟甲基苯基次膦酸晶体及其二维超分子结构研究

Crystal Structure Analysis of Hydromethylphenylphosphinic Acid and Study of Dimensional Supramolecular Arrays

合成了一个次膦酸化合物-羟甲基苯基次膦酸,测得了其晶体结构。晶体属于单斜晶系,晶胞参数:a=0.75 607(3)nm,b=0.59 119(5)nm,c=0.88 167(2)nm,α=90,β=90.82(3),γ=90,V=0.39405(4)×10-3nm3,Z=2,F(000)=266,GOF=1.005,R1=0.0567,wR2=0.148[I>2δ(I)]。晶体中存在(C-)O-H…O-C(-P)型、(C-)O-H…O=P型和(P-)O-H…P=O型氢键相互作用形成5元环和13元环,两种环交替相连形成二维超分子网状结构,此外结构中存在相互交替的苯环堆积层和氢键层。

A phosphorus compound,hydroxymethylphenylphosphinic acid,was synthesized and the crystal structure was studied through X-ray diffraction analysis.The crystal belongs to Monoclinic with space group P21.The crystal cell parameters were as followed,a= 0.75607（3） nm,b= 0.59119（5） nm,c= 0.88167（2） nm,α=90？,β=90.82（3）？,γ=90？,V= 0.39405（4）×10-3nm3,Z=2,F（000）=266,GOF=1.005,R1=0.0567,wR2=0.148 [I2δ（I）].There exist three kinds of hydrogen bond of（C-）O-H…O-C（-P）,（C-）O-H…O=P and（P-）O-H…P=O.The hydrogen bonds interacted to form five member rings and thirteen member rings,which formed a dimensional unlimited supramolecular network.Besides the hydronge bond layers,there also exist packing phenyl layers in the crystal.