由5-硝基间苯二甲酸和1,4-双(苯并咪唑基)丁烷构筑的三维铜配位聚合物的水热合成及晶体结构

Hydrothermal Synthesis and Crystal Structure of a Three-dimensional Copper Coordination Polymers Assembled by 5-Nitroisophthalic Acid and 1,4-Bis(1H-benzimidazolyl)butane

通过水热法合成了一种新的配合物[Cu(NIPH)(bbbi)]n(1)(H2NIPH=5-硝基间苯二甲酸,bbbi=1,4-双(苯并咪唑基)丁烷),并对其进行了元素分析、红外光谱、TG、X-射线粉末衍射和X-射线单晶衍射测定.该配合物属于P21/n空间群,晶体学数据为a=9.3708(4)A,b=13.3809(6)A,c=18.3256(7)A,β=97.1250(10)°,V=2280.10(17)A^3,C26H21CuN5O6,Mr=563.02,Dc=1.640 g/cm^3,F(000)=1156,Z=4,μ(Mo Kα)=1.015 mm-1,直接法解析原子位置的结果显示:R=0.0268,wR=0.0657.结构分析表明,该配合物为三维网状结构,并通过C—H…O氢键和π-π堆积形成了三维超分子结构.

A new complex[Cu(NIPH)(bbbi)]n(H2NIPH=5-nitroisophthalic acid,bbbi=1,4-bis(1H-benzimidazolyl)butane)has been hydrothermally synthesized and structurally characterized by elemental analysis,IR spectrum,TG,PXRD and single-crystal X-ray diffraction.The crystals crystallize in monoclinic system,space group P 21/n with a=9.3708(4)A,b=13.3809(6)A,c=18.3256(7)A,β=97.1250(10)°,V=2280.10(17)A^3,C26H21CuN5O6,Mr=563.02,Dc=1.640 g/cm^3,F(000)=1156,Z=4,μ(Mo Kα)=1.015 mm^-1,the final R=0.0268 and wR=0.0657 for 3496 observed reflections(I>2s(I)).It shows three-dimensional(3D)framework and extended into a three-dimensional supramo?lecular network structure through C-H…O hydrogen bonding and π-π interactions.