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以邻苯二胺、环己酮为原料,在微波辐射下合成得到标题化合物2-环己烷基-1,3-二氢苯并咪唑(C12H16N2,Mr=187.26),其合成条件是:n(邻苯二胺)∶n(环己酮)=1∶1.2(邻苯二胺1.08 g,环己酮1.18 g),冰醋酸2 mL,辐射时间3 min,微波功率153 W。用红外光谱和核磁共振氢谱对产物进行了表征,并用单晶X射线衍射法测定了其单晶结构,标题化合物晶体属正交晶系,空间群Fdd2,a=2.060 0(4)nm,b=2.433 0(5)nm,c=0.855 00(17)nm,α=90°,β=90°,γ=90°,V=4.285 2(15)nm3,Z=16,Dc=1.161 g/m3,μ=0.070 mm-1,F(000)=1 616,GOF=1.002,R1=0.058 5,wR2=0.150 9。
Using o-phenylenediamine and cyclohexanone as starting materials, the title compound 2-cyclohexyl-1,3-dihydrobenzimidazole (C12H16N2, Mr = 187.26) was synthesized by microwave irradiation under the following conditions: n (O-phenylenediamine): 1: 1.2 (o-phenylenediamine 1.08 g, cyclohexanone 1.18 g), 2 mL of glacial acetic acid, irradiation time 3 min and microwave power 153 W. The product was characterized by FTIR and 1HNMR. The single crystal structure was determined by single crystal X-ray diffraction. The crystal of the title compound belongs to the orthorhombic system with space group Fdd2, a = 2.060 0 (4) nm, b = 2.433 0 (5) nm, c = 0.855 00 (17) nm, α = 90 °, β = 90 °, γ = 90 °, V = 4.285 2 (15) nm3, Z = 16, Dc = 1.161 g /m3,μ=0.070 mm-1, F (000) = 1 616, GOF = 1.002, R1 = 0.058 5, wR2 = 0.1509.