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6,7-二氰基联吡啶喹喔啉(DICNQ)分别与Eu(NO3)3.6H2O、Tb(NO3)3.6H2O水热反应产生两个新的三价稀土金属-有机配合物[Eu(DICNQ)2(NO3)3].(CH3CN)2(1)和[Tb(DICNQ)(NO3)3]2(2)。X射线单晶衍射研究表明化合物1结晶于单斜晶系,Cc无心空间群,晶胞参数a=1.157 7(6)nm,b=3.193 4(2)nm,c=1.106 6(6)nm,β=97.633(2)°,V=4.055(4)nm3,Z=4,Mr=984.63,Dc=1.613 g.cm-3,μ=1.623 mm-1,F(000)=1 952,S=1.035,T=293(2)K。最终精修结果为:R=0.033 5,wR=0.078 1,I>2σ(I)的点为6 467个。化合物2结晶于三斜晶系,P1空间群,晶胞参数a=0.871 1(3)nm,b=0.890 8(3)nm,c=1.544 9(5)nm,α=80.852(9)°,β=84.217(9)°,γ=65.475(7)°,V=1.076 0(6)nm3,Z=1,Mr=1 254.44,Dc=1.936 g.cm-3,μ=3.356 mm-1,F(000)=604,S=1.026,T=293(2)K。最终精修结果为:R=0.036 8,wR=0.095 6,I>2σ(I)的点为3 697个。化合物1中孤立中性分子之间具有C-H…O氢键作用,而化合物2的晶体结构既包含配体间的π…π堆积作用又有分子间C-H…N和分子内C-H…O氢键作用。
Hydrothermal reaction of 6,7-dicyanobipyridylquinoxaline (DICNQ) with Eu (NO3) 3.6H2O and Tb (NO3) 3.6H2O respectively gave two new trivalent rare earth metal complexes, Eu [DICNQ ) 2 (NO3) 3] (CH3CN) 2 (1) and [Tb (DICNQ) (NO3) 3] 2 (2). X-ray single crystal diffraction study showed that compound 1 crystallized in monoclinic system with Cc unoccupied space group. The cell parameters a = 1.157 7 (6) nm, b = 3.193 4 (2) nm, c = 1.106 6 , F (000) = 1 952, S = 97.633 (2) °, V = 4.055 (4) nm3, Z = 4, Mr = 984.63, Dc = 1.613 g.cm- = 1.035, T = 293 (2) K. The final refinement results were: R = 0.033 5, wR = 0.078 1, and I <2σ (I) with 6 467 points. Compound 2 crystallizes in the triclinic system with space group P1, a = 0.871 1 (3) nm, b = 0.890 8 (3) nm, c = 1.544 9 , β = 84.217 (9) °, γ = 65.475 (7) °, V = 1.076 0 (6) nm3, Z = 1, Mr = 1 254.44, Dc = 1.936 g.cm-3, μ = 3.356 mm-1 , F (000) = 604, S = 1.026, T = 293 (2) K. The results of final refinement were: R = 0.036 8, wR = 0.095 6, and 3 697 points for I> 2σ (I). Compound 1 has a CH ... O hydrogen bond between isolated neutral molecules, while the crystal structure of compound 2 includes both pi ... π stacking and intermolecular CH ... N and intramolecular CH ... O hydrogen bonding .