Synthesis and Crystal Structure of 3,6-Bis(4,4,4-trifluorobutane-1,3-dione)-9-n-butylcarbazole  

作　　者：YANG Lina ZHAO Xiang-Hua ZHOU Hong-Ping WU Jie-Ying YANG Jia-Xiang SHAO Guo-Quan CHENG Le-Hua TIAN Yu-Peng 

机构地区：[1]Department of Chemistry, Anhui University, Hefei 230039, China [2]Department of Chemistry, Hefei University, Hefei 230022, China

出　　处：《Chinese Journal of Structural Chemistry》2008年第2期143-148,共6页结构化学（英文）

基　　金：This work was supported by the National Natural Science Foundation of China (No. 50532030, 50325311, 50335050);Scientific Research & Development Foundation of Hefei University (No. 07KY003ZR)

摘　　要：A novel bis（β-diketonate） derivate, 3,6-bis（4,4,4-trifluorobutane-1,3-dione）-9-n- butylcarbazole 1, was synthesized and structurally characterized by single-crystal X-ray diffrac- tion. The crystal belongs to the monoclinic system, space group P2 1/c with a = 10.961（6）, b = 22.942（13）, c = 9.408（6）A, α = 90, β = 109.663（9）, y = 90°, V = 2228（2）A^3, Z = 4, Dc = 1.489 g/cm^3, C24H19F6NO4, Mr = 499.40, F（000） = 1024 and μ = 0.134 mm^-1. The structure was refined to the final R = 0.0699 and wR = 0.1627 for 3744 independent reflections （Rint = 0.1288） and 1349 observed reflections （I 〉 2σ（I））. Compound 1 consists of carbazole unit and two terminal diketonate groups, in which carbazole and its two adjacent diketonate rings are almost coplanar. Moreover, compound 1 was characterized with IR, elemental analysis, IH NMR, MS, electronic absorption, and single-photon fluorescence.A novel bis（β-diketonate） derivate, 3,6-bis（4,4,4-trifluorobutane-1,3-dione）-9-n- butylcarbazole 1, was synthesized and structurally characterized by single-crystal X-ray diffrac- tion. The crystal belongs to the monoclinic system, space group P2 1/c with a = 10.961（6）, b = 22.942（13）, c = 9.408（6）A, α = 90, β = 109.663（9）, y = 90°, V = 2228（2）A^3, Z = 4, Dc = 1.489 g/cm^3, C24H19F6NO4, Mr = 499.40, F（000） = 1024 and μ = 0.134 mm^-1. The structure was refined to the final R = 0.0699 and wR = 0.1627 for 3744 independent reflections （Rint = 0.1288） and 1349 observed reflections （I 〉 2σ（I））. Compound 1 consists of carbazole unit and two terminal diketonate groups, in which carbazole and its two adjacent diketonate rings are almost coplanar. Moreover, compound 1 was characterized with IR, elemental analysis, IH NMR, MS, electronic absorption, and single-photon fluorescence.

关 键 词：crystal structure bis（β-diketonate） carbazole derivates synthesis characterization 

分 类 号：O626[理学—有机化学]