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洞状咪唑环番的合成和晶体结构
引用本文:袁艺,蒋宗林,高戈,鄢家明,谢如刚,郁开北.洞状咪唑环番的合成和晶体结构[J].高等学校化学学报,2001,22(3):412-416.
作者姓名:袁艺  蒋宗林  高戈  鄢家明  谢如刚  郁开北
作者单位:1. 四川大学化学学院,
2. 中国科学院成都有机化学研究所,
基金项目:国家自然科学基金,29632004,29872028,
摘    要:由1,3,5-三甲基-2,4,6-三(咪唑甲基)苯与1,3,5-三(溴甲基)苯直接季铵化反应高产率地合成了洞状咪唑环番3(C30H33N63+*Br-3*3H2 O), 对目标物的分子和晶体结构进行了表征. 该晶体属单斜晶系, 空间群为P21, 晶胞参数: a=0.863 4(2) nm, b=0.817 0(4) nm, c=1.088 4(2) nm, β=112.03(1)°, V=\{1.582 8(6)\} nm3, Z=2, R=0.033 6, F(000)= 780. 溴离子与水分子形成氢键. 分子和晶体结构表明化合物具有选择性识别一些阴离子或中性分子的适宜结构.

关 键 词:环番  洞状配体  咪唑盐  季铵化反应  晶体结构
文章编号:0251-0790(2001)03-0412-05
修稿时间:2000年2月23日

Synthesis and Crystal Structure of Speleand Imidazolium Cyclophane
YUAN Yi,JIANG Zong-lin,GAO Ge,YAN Jia-Ming,XIE Ru-Gang,YU Kai-Bei.Synthesis and Crystal Structure of Speleand Imidazolium Cyclophane[J].Chemical Research In Chinese Universities,2001,22(3):412-416.
Authors:YUAN Yi  JIANG Zong-lin  GAO Ge  YAN Jia-Ming  XIE Ru-Gang  YU Kai-Bei
Abstract:A speleand imidazolium cyclophane [C30H33N63+*Br-3*3H2O](2,21,29-trimethyl-5,16,24-triaza-8,19,27-triazonia heptacyclo [10.10.6.11,3.15,8.110,14.116,19.124,27]tritriazonia-1,3(29),6,8(30),10,12,14(31),17,19(32),21,25,27(33)-dodecene tribromide trihydrate was synthesized by direct quaterisation of 1,3,5-trimethyl-2,4,6-tri(imidazolylmethyl)benzene with m-tri(bromomethyl)benzene in high yield. Its molecular and crystal structures were characterized by 1H NMR, FAB-MS, elementary analysis, IR, UV and X-ray diffraction. The crystal is of monoclinic system, space group P21 with a=0.863 4(2) nm, b=0.817 0(4) nm, c=1.088 4(2) nm, β=112.03(1)°, V=1.582 8(6) nm3, Z=2, R=0.033 6, F(000)=780. The bromides form hydrogen bonds with water molecules. The molecular structure indicates that the title compound can selectively recognize some anions or neutral molecules.
Keywords:Cyclophane  Speleand compound  Imidazolium salt  Quaterisation  Crystal structure
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