Synthesis and Crystal Structure of a B-H Activated Compound Containing a Furan Ring and an ortho-Carborane Cage  

作　　者：叶红德 胡久荣 郑大贵 彭化南 叶青 部如意 燕红 

机构地区：[1]Key Laboratory of Applied Organic Chemistry,Higher Institutions of Jiangxi Province,Shangrao Normal University [2]School of Chemistry and Chemical Engineering,Nanjing University

出　　处：《Chinese Journal of Structural Chemistry》2013年第10期1517-1522,共6页结构化学（英文）

基　　金：Project supported by the Science and Technology Research Project of Key Laboratory of Higher Institutions of Jiangxi Province(No.GJJl 1710);the Science and Technology Research Projects of the Education Department of Jiangxi Province(Nos.GJJ09376 and GJJ10613);the National Natural Science Foundation of China(21361022 and 21261020);the Scientific and Technological Landing Project of Higher Education of Jiangxi Province(No.KJLD12094);the Fourth Point of Specialty Construction College of Education Ministry(No.TS11524)

摘　　要：A new compound [CpCo（Se2C2BIoH9）CH2C（O）C4H30] has been synthesized and characterized by elemental analysis, IR spectroscopy, NMR, MS and single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group P21/c with a = 10.9481（10）, b = 24.6600（12）, c = 25.7430（14） A, β = 100.863（3）°, C42H57B30Co306Se6＂CH2C12＂0.25H20, Mr = 1722.16, V = 6825.6（8） A3, Dc= 1.676 g/cm3, Z = 1 and F（000） = 3346. The molecular structure shows a 1：1 ratio product of the two reactants of 16e half-sandwich complex CpCo（Se2C2B10H10） and alkyne 1-（2-furyl）-2-propyn-l-one. The hydrogen atom in the B（3） position of CpCo（Se2C2B10HIo） has been activated and migrated to the terminal carbon of 1-（2-furyl）- 2-propyn-l-one to form the B-CH2 unit. The title compound molecules are linked and extended further into a one-dimensional chain through atypical hydrogen bonds.A new compound [CpCo（Se2C2BIoH9）CH2C（O）C4H30] has been synthesized and characterized by elemental analysis, IR spectroscopy, NMR, MS and single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group P21/c with a = 10.9481（10）, b = 24.6600（12）, c = 25.7430（14） A, β = 100.863（3）°, C42H57B30Co306Se6＂CH2C12＂0.25H20, Mr = 1722.16, V = 6825.6（8） A3, Dc= 1.676 g/cm3, Z = 1 and F（000） = 3346. The molecular structure shows a 1：1 ratio product of the two reactants of 16e half-sandwich complex CpCo（Se2C2B10H10） and alkyne 1-（2-furyl）-2-propyn-l-one. The hydrogen atom in the B（3） position of CpCo（Se2C2B10HIo） has been activated and migrated to the terminal carbon of 1-（2-furyl）- 2-propyn-l-one to form the B-CH2 unit. The title compound molecules are linked and extended further into a one-dimensional chain through atypical hydrogen bonds.

关 键 词：CARBORANE ALKYNE B-H activated crystal structure 

分 类 号：O626[理学—有机化学]