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

【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 P21/c with a = 10.961(6), b = 22.942(13), c = 9.408(6) , α = 90, β = 109.663(9), γ = 90o, V = 2228(2) 3, Z = 4, Dc = 1.489 g/cm3, 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, 1H NMR, MS, electronic absorption, and single-photon fluorescence.更多还原

【Abstract】 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 P21/c with a = 10.961(6), b = 22.942(13), c = 9.408(6) , α = 90, β = 109.663(9), γ = 90o, V = 2228(2) 3, Z = 4, Dc = 1.489 g/cm3, 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, 1H NMR, MS, electronic absorption, and single-photon fluorescence.更多还原