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化学学报 ›› 2009, Vol. 67 ›› Issue (11): 1177-1181. 上一篇    下一篇

研究论文

2,2’-二(4-羟基苯基)丙烷与四丁基铵包合物([(n-C4H9)4N]＋• [(C15H15O2)2H]－)的两种同质异晶体

郝亚暾 杨 媛 杨云霞 李 奇

  

  1. 北京师范大学化学学院 北京 100875

  • 投稿日期:2008-07-24 修回日期:2008-11-12 发布日期:2009-06-14
  • 通讯作者: 李奇

Two Polymorphs of Inclusion Compound Built of 2,2’-bis(4-hydroxyphenyl)propane Anion and Tetrabutylammonium Cation

Hao, Yatun Yang, Yuan Yang, Yunxia Li, Qi

  

  1. College of Chemistry, Beijing Normal University, Beijing 100875, China
  • Received:2008-07-24 Revised:2008-11-12 Published:2009-06-14
  • Contact: Li, Qi

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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.

关键词: 2,2’-二(4-羟基苯基)丙烷, 同质异晶体, 正四丁基铵, 晶体结构, 包合物

Two polymorphs of one inclusion compound of [(n-C4H9)4N]＋•[(C15H15O2)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, α＝108.137(2)°, β＝94.458(2)°, γ＝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.

Key words: 2,2’-bis(4-hydroxyphenyl)propane, polymorph, tetrabutylammonium cation, crystal structure, inclusion compound