合成了2,2'-二(4-羟基苯基)丙烷为主体分子的四丁基铵包合物,[(n-C4H9)4N]^+·[(C15H15O2)2H]^-,并通过单晶X射线衍射法对其进行了晶体结构测定,发现该包合物的晶体存在两种同质异晶体.结果表明,晶型1属单斜晶系,C2/c空间群,晶胞参数a=2.8199(2)nm,b=0.92730(8)nm,c=2.1450(3)nm,β=130.050(1)°,Z=4,R1=0.0771,wR2=0.2452;晶型2属三斜晶系,P^-1空间群,晶胞参数a=1.0895(1)nm,b=1.2331(2)nm,c=1.7244(2)nm,α=108.137(2)°,β=94.458(2)°,γ=100.172(2)°,Z=2,R1=0.0697,wR2=0.2176.晶型1中2,2'-二(4-羟基苯基)丙烷阴离子的氢键链构成管道式主体晶格,正四丁基铵阳离子被包合在这些管道中;晶型2中2个独立的2,2'-二(4-羟基苯基)丙烷阴离子分别形成氢键主体层,它们交替排列并与夹在其间的正四丁基铵阳离子形成类三明治层状包合物.
Two polymorphs of one inclusion compound of [(n-C4H9)4N]^+·[(C15H1502)2H]^- have been prepared and characterized by X-ray crystallography. Polymorph 1, monoclinic C2/c, a=2.8199(2) nm, b= 0.92730(8) nm, c=2.1450(3) nm, β=130.050(1)°, Z=4, R1=0.0771, wR2=0.2452; polymorph 2, triclinic P^-1, a=1.0895(1) nm, b= 1.2331(2) nm, c= 1.7244(2) nm, a= 108.137(2)°, β=94.458(2)°, y= 100.172(2)°, Z=2, R1=0.0697, wR2=0.2176. In the crystal structure of 1, the tetra-n-butylammonium cations are stacked within each channel formed by hydrogen bonded ribbons of 2,2'-bis(4-hydroxyphenyl)propane anions. In the crystal structure of 2, the layers built of two independent 2,2'-bis(4-hydroxyphenyl)propane anions alternately arrange to form a sandwich-like structure in which the tetra-n-butylammonium cations occupy the space between layers.