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A new 3-D hybrid framework {[(dafone)PbI2](dafone)2}n 1 (dafone = 4,5-dia- zafluoren-9-one) has been prepared and structurally determined. 1 crystallizes in the monoclinic system, space group C2/c with a = 24.109(8), b = 16.596(8), c = 7.983(3) , β = 91.590(15)°, V = 3193(2) 3, Z = 4, C33H18I2N6O3Pb, Mr = 1007.53, Dc = 2.096 g/cm3, F(000) = 1880, μ(MoKα) = 7.262 mm-1, the final R = 0.0352 and wR = 0.0951 for 3198 observed reflections with I > 2σ(I). In the [(dafone)PbI2]n chain, the Pb center adopts a distorted octahedral coordination geometry and shares an edge to give a one-dimensional polymer. The 3-D arrangement of 1 constructs from H-bonds among dafone molecules and π-π stacking interactions among dissociative dafone molecules. These weak interactions contribute to the stability of the title compound. DFT calculation was carried out to reveal its electronic structure.
A new 3-D hybrid framework {[(dafone) PbI2] (dafone) 2} n1 has been prepared and structurally determined. 1 crystallizes in the monoclinic system, space group C2 / c with a = 24.109 (8) b = 16.596 (8) c = 7.983 (3) β β = 91.590 (15) ° V = 3193 (2) 3 Z = 4 C33H18I2N6O3Pb , Mr = 1007.53, Dc = 2.096 g / cm3, F (000) = 1880, μ (MoKα) = 7.262 mm-1, the final R = 0.0352 and wR = 0.0951 for 3198 at refs with I> 2σ (I). The 3-D arrangement of 1 constructs from H-bonds among dafone molecules and π- π stacking interactions among dissociative dafone molecules. These weak interactions contribute to the stability of the title compound. DFT calculation was carried out to reveal its electronic structure.