Hydrothermal Synthesis and Crystal Structure of One 3D Coordination Polymer of Nickel(Ⅱ) Achieved from 5-Iodo-isophthalic Acid Ligand

A new coordination polymer [Ni（L）（m-bix）（H2O）]n （1, H2L = 5-iodo-isophthalic acid, m-bix=1,3-bis（imidazol-1-ylmethyl）-benzene） has been synthesized by the hydrothermal method and characterized by IR, elemental analysis, powder XRD and single-crystal X-ray analysis. The crystal is of triclinic, space group Pī with a = 9.1638（3）, b = 10.2319（3）, c = 13.2463（4） ？, α = 80.1710（10）, β = 83.671（2）, γ = 70.3790（10）o,C22H19NiIN4O5, Mr = 605.02, V = 1150.85（6） ？3, Dc = 1.746 g/cm3, F（000） = 600, μ = 2.225 mm-1, S = 1.045 and Z = 2. The final R = 0.0388 and wR = 0.1257 for 5089 observed reflections with I 〉 2σ（I）. In the title complex, the M and P layers are arranged alternately to give a double-layer structure by the symmetry related hydrogen bonds, and these double-layers are further joined together to achieve a 2D supramolecular architecture through I···π interaction involving iodine atoms and imidazole rings. The thermal stability of the title complex was studied by thermal gravimetric （TG） and differential thermal analysis （DTA）.

两种苯并咪唑超分子化合物的水热合成、晶体结构及光谱学性质

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。