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标题化合物C27H23FN4O2(C2H5OH)是由2分子1-苯基-3-甲基-5-吡唑啉酮和1分子2-苯甲醛微波辐射4 m in,用乙醇重结晶得到。在该化合物的晶体结构中,一个结构单元包含1分子4,4′(2-氟苯基)双(1-苯基-3-甲基-5-吡唑啉酮)甲烷和1分子乙醇。结构通过X射线衍射法确定,其晶体属于单斜晶系,P21/c空间群,Mr=500.56,a=0.949 6(19)nm,b=2.217 4(4)nm,c=1.285 4(3)nm,β=100.71(3)°,V=2.659 5(10)nm3,dc=1.250 g/cm3,Z=4,F(000)=1 056,μ=0.087 mm-1,最终偏差因子分别为R=0.059 1,wR=0.149 9,分子之间通过相邻分子间形成的N—H…O和O—H…N氢键相连。
The title compound C27H23FN4O2 (C2H5OH) was obtained by microwave irradiation of 2 molecules of 1-phenyl-3-methyl-5-pyrazolone and 1 molecule of 2-benzaldehyde for 4 minutes, and then recrystallized from ethanol. In the crystal structure of this compound, one structural unit contains one molecule of 4,4 ’(2-fluorophenyl) bis (1-phenyl-3-methyl-5-pyrazolone) methane and 1 molecule of ethanol. The crystal structure of the crystal belongs to the monoclinic space group P21 / c with Mr = 500.56, a = 0.949 6 (19) nm, b = 2.217 4 (4) nm and c = 1.285 4 (3) ), β = 100.71 (3) °, V = 2.659 5 (10) nm3, dc = 1.250 g / cm3, Z = 4, F (000) = 1 056 and μ = 0.087 mm-1 respectively. The final deviation factors R = 0.059 1 and wR = 0.149 9. The molecules are connected by N-H ... O and O-H ... N hydrogen bonds formed between adjacent molecules.