洞状咪唑环番的合成和晶体结构  

Synthesis and Crystal Structure of Speleand Imidazolium Cyclophane

作　　者：袁艺[1] 蒋宗林[1] 高戈[1] 鄢家明[1] 谢如刚[1] 郁开北[2] 

机构地区：[1]四川大学化学学院,成都610064 [2]中国科学院成都有机化学研究所,成都610041

出　　处：《高等学校化学学报》2001年第3期412-416,共5页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金! (批准号 :2 963 2 0 0 4;2 9872 0 2 8)资助

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 ( C3 0 H3 3 N63 + · Br-3 · 3 H2 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 P2 1,晶胞参数 :a=0 .863 4 ( 2 ) nm,b=0 .81 70 ( 4) nm,c=1 .0 884 ( 2 ) nm,β=1 1 2 .0 3 ( 1 )°,V=1 .582 8( 6) nm3 ,Z=2 ,R=0 .0 3 3 6,F( 0 0 0 ) =780 .溴离子与水分子形成氢键 .A speleand imidazolium cyclophane [C 30 H 33 N 6 3+ ·Br - 3·3H 2O](2,21,29 trimethyl 5,16,24 triaza 8,19,27 triazonia heptacyclo [10.10.6.1 1,3 .1 5,8 .1 10,14 .1 16,19 .1 24,27 ]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 P2 1 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) nm 3, 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.

关 键 词：委铵化反应 晶体结构 分子识别 超分子化学 洞状咪唑翁环番 合成 

分 类 号：O626[理学—有机化学] O641.3[理学—化学]