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Crystal Structure of 2-(4-Chlorophenyl)-1,4,5-triphenyl-(1H)-imidazole

机译:2-(4-氯苯基)-1,4,5-三苯基-(1H)-咪唑的晶体结构

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The title compound, 2-(4-chlorophenyl)-1,4,5-triphenyl-(1H)-imidazole (C27H19N2Cl), crystallizes in the triclinic space group P1 with the following unit-cell parameters: a = 10.2102(3), b = 10.3193(4), c = 11.2040(4)Å, α = 83.116(3), β = 86.022(3), γ = 66.348(3)° and Z = 2. The crystal structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R-value of 0.0406 for 3039 observed reflections. The phenyl rings and the imidazole ring are planar. The bonds C2-C6, N1-C12, C5-C18 and C4-C24 exhibit significant torsion. The molecules in the unit cell are arranged in layers, and are stabilized by C-H…π interactions. The minimum observed π-π distance is 4.333(1)Å.
机译:标题化合物2-(4-氯苯基)-1,4,5-三苯基-(1 H )-咪唑(C 27 H 19 N 2 Cl),在三斜空间群 P 1中具有以下晶胞参数结晶: a = 10.2102(3) , b = 10.3193(4), c = 11.2040(4)Å,α = 83.116(3),β = 86.022(3),γ = 66.348(3)°, Z =2。采用直接方法求解晶体结构,并通过全矩阵最小化法精制。对3039个观察到的反射进行平方处理,最终R值为0.0406。苯环和咪唑环是平面的。键C2-C6,N1-C12,C5-C18和C4-C24表现出明显的扭转。晶胞中的分子分层排列,并通过C-H…π相互作用稳定。观测到的π最小距离为4.333(1)Å。

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