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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+C18H13O-4?B(OH)3(1)和(n-C4H9)4N+C18H13O-4(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a=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a=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.
The trans-9,10-dihydro-9,10-diethylanthracene-11,12-dicarboxylic acid (EADA) and its tetrabutylammonium cationic tubular inclusions (n-C4H9) 4N + C18H13O-4-B (OH) 3 (1) and (n-C4H9) 4N + C18H13O-4 (2) were synthesized and characterized by single crystal X-ray diffraction. The results show that crystal 1 belongs to the monoclinic space group P2 (1) / c with lattice parameters of a = 1.5699 (1) nm, b = 0.9955 (6) nm, c = 2.2933 (3) °, Z = 4, R1 = 0.0434, wR = 0.0759. Crystal 2 belongs to the monoclinic space group C2 / c with unit cell parameters a = 1.4005 (3) nm and b = 1.2821 β = 100.388 (1) °, Z = 4, R1 = 0.0584, wR = 0.0966. In crystal 1, the hydrogen-bonded tetramer chains of EADA anions and boronic acid molecules are arranged in parallel and interleaved to form Each of the tubes contains two regularly arranged n-tetrabutylammonium cations (n-C4H9) 4N +. In Crystal 2, the independent EADA anions are staggered to form a honeycomb-like cross section The main tetragonal lattice, n-tetrabutylammonium cation Z-shaped long columns are enclosed in these pipes, cationic hydrocarbon chains interspersed in the pipe wall.