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利用水热反应合成了两种超分子化合物1,2-二(2-苯并咪唑基)乙烷硫酸盐[(C16H16N4).(HSO4)2.(H2O)2](1)和5-(2-苯并咪唑基)-1,3-苯二甲酸[C15H10N2O4](2)。通过元素分析、红外光谱及紫外光谱对标题化合物进行了表征,并用单晶X射线衍射测定了其晶体结构。两个化合物均属于单斜晶系,P21/c空间群,超分子化合物(1)的晶格参数:Mr=494.48,a=0.7089(2)nm,b=1.7922(5)nm,c=0.8584(2)nm,β=106.250(4)°,V=1.0471(5)nm3,Z=2,Dc=1.562g/cm3,F(000)=512,μ=0.318mm-1,GOF=1.046,R1=0.0518,wR2=0.1710;超分子化合物(2)的晶格参数:Mr=282.23,a=1.4345(3)nm,b=1.6748(4)nm,c=1.0628(2)nm,β=93.364(4)°,V=2.5490(10)nm3,Z=8,Dc=1.460g/cm3,F(000)=1152,μ=0.109mm-1,GOF=1.098,R1=0.0473,wR2=0.1341。两个化合物分子间通过氢键及π-π堆积作用相互形成三维网状超分子结构。
Two kinds of supramolecular 1,2-bis (2-benzimidazolyl) ethane sulfates [(C16H16N4). (HSO4) 2.H2O] 2] and 5- 2-benzimidazolyl) -1,3-benzenedicarboxylic acid [C15H10N2O4] (2). The title compound was characterized by elemental analysis, IR and UV spectra and its crystal structure was determined by single crystal X-ray diffraction. Both compounds belong to the monoclinic space group P21 / c. The lattice parameters of supramolecular compound (1) are: Mr = 494.48, a = 0.7089 (2) nm, b = 1.7922 (5) nm, c = 0.8584 (2) nm, β = 106.250 (4) °, V = 1.0471 (5) nm3, Z = 2, Dc = 1.562g / cm3, F (000) = 512, μ = 0.318mm-1, GOF = 1.046, R1 = 0.0518 and wR2 = 0.1710. The lattice parameters of the supramolecular compound (2) are: Mr = 282.23, a = 1.4345 3 nm, b = 1.6748 nm, c = 1.0628 nm, β = 93.364 (4) ° V = 2.5490 (10) nm3 Z = 8 Dc = 1.460 g / cm3 F (000) = 1152 μ = 0.109 mm -1 GOF = 1.098 R1 = 0.0473 wR2 = 0.1341. The two compounds form a three-dimensional network of supramolecular structures by hydrogen bonding and π-π stacking.