合成了反式-9,10-二氢-9,10-二乙基蒽-11,12-二羧酸(EADA)及其与硼酸共同构建主体晶格的正四丁基铵阳离子管状包合物(n-C4H9)4N^+ C18H13O4^-·B(OH)3(1)和(n-C4H9)4N^+C18H13O4^-(2),并通过单晶X射线衍射法对其进行了晶体结构测定.结果表明,晶体1属单斜晶系,P2(1)/c空间群,晶胞参数α=1.5699(1)nm,b=0.9955(6)nm,c=2.2933(1)nm,β=109.962(3)°,Z=4,R1=0.0434,wR=0.0759;晶体2属单斜晶系,C2/c空间群,晶胞参数α=1.4005(3)nm,b=1.2821(2)nm,c=1.7657(3)nm,β=100.388(1)°,Z=4,R1=0.0584,wR=0.0966.在晶体1中,EADA阴离子和硼酸分子的氢键四聚体链交错平行排列,生成具有矩形截面的管道式主体晶格,每个管道内包含了两列规则排列的正四丁基铵阳离子(n-C4H9)4N^+.在晶体2中,相互独立的EADA阴离子交错排列形成类蜂巢形截面的管道式主体晶格,正四丁基铵阳离子形成Z形长列被包合在这些管道里,阳离子的烃链穿插在管道壁中.
New inclusion complexes (n-C4H9)4N^+ClsH13O4^-·B(OH)3 (1) and (n-C4H9)4N^+C18H13O4^- (2) have been prepared and characterized by X-ray crystallography. Crystal data: compound 1, monoclinic P2(1)/c, α= 1.5699(1) nm, b=0.9955(6) nm, c=2.2933(1) nm, β=109.962(3)°, Z=4, and R1 =0.0434, wR =0.0759; compound 2, monoclinic C2/c, α= 1.4005(3) nm, b=1.2821(2) nm, c= 1.7657(3) nm, β= 100.388(1)°, Z=4, and R1 =0.0584, wR=0.0966. In the crystal structure of 1, the tetramers formed by two trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid (EADA) anions and two boric acid molecules are connected through O-H···O hydrogen bonds to generate a channel type host lattice. The tetra-n-butylammonium cations are stacked in double columns within each channel with cross-sectional size of about 2.30 nm×0.93 nm. In the crystal structure of 2, similar honeycomb host lattices with big size are also formed along the [101] direction by three-dimensional accumulation of EADA anions. The tetra-n-butylammonium cations are accommodated in a zigzag fashion within each channel.