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采用水热反应法合成超分子化合物C11H6N2O.H3PO4.H2O,通过元素分析、红外光谱和X射线单晶衍射对其组成、结构进行分析。该化合物属于三斜晶系,空间群P-1,晶胞参数a=0.73350(6)nm,b=0.74191(7)nm,c=1.15692(14)nm,α=96.395(2)°,β=92.9940(10)°,γ=90.3440(10)°,V=0.62477(11)nm3,Z=2,F(000)=308,Dc=1.585g.cm-3,最终偏差因子R1=0.0521,wR2=0.1282。该化合物的不对称单元由3个独立的分子4,5-二氮芴-9-酮、磷酸和水分子构成,氢键连接分子形成三维超分子化合物。
Supramolecular compound C11H6N2O.H3PO4.H2O was synthesized by hydrothermal method. Its composition and structure were analyzed by elemental analysis, IR and single crystal X-ray diffraction. The compound belongs to the triclinic system with a space group of P-1 with a = 0.73350 (6) nm, b = 0.74191 (7) nm, c = 1.15692 (14) nm and α = 96.395 = 92.9940 (10) °, γ = 90.3440 (10) °, V = 0.62477 (11) nm3, Z = 2, F (000) = 308, Dc = 1.585g.cm-3, final deviation factor R1 = 0.0521, wR2 = 0.1282. The asymmetric unit of the compound consists of three independent molecules, 4,5-diazofluoren-9-one, phosphoric acid and water molecules, hydrogen bonding molecules to form three-dimensional supramolecular compounds.