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首页> 外文期刊>Journal of chemical crystallography >Crystal study of N,N'-diphenyl-N,N'-bis(1-naphthyl)-1,10- biphenyl-4,4'-diamine
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Crystal study of N,N'-diphenyl-N,N'-bis(1-naphthyl)-1,10- biphenyl-4,4'-diamine

机译:N,N'-二苯基-N,N'-双(1-萘基)-1,10-联苯-4,4'-二胺的晶体研究

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摘要

The structure of N,N'-diphenyl-N,N'-bis(1-naphthyl)-1,1'-biphenyl-4,4'- diamine (NPB) with two molecules in the asymmetric unit, was solved and refined to a final R factor of 0.0434. The compound crystallized in the triclinic crystal system, space group P - 1, Z = 2, V = 1597.0(3) ? ~3 with unit cell parameters a = 10.3077(10) ?, b = 11.3545(11) ?, c = 14.4778(14) ?, α = 82.339(2)°, β = 77.657(2)°, and γ = 75.526(2)°. The two molecules in the asymmetric unit differed in the orientation of their triarylamino groups. The biphenyl group in the central structure is coplanar, and the angle between the least-square planes of the two six-carbon rings of the biphenyl moiety is zero degree. The packing of the molecules in the lattice is mainly due to the naphthyl-tonaphthyl π-π interaction with a distance of 3.861 ?.
机译:解决和精制了N,N'-二苯基-N,N'-双(1-萘基)-1,1'-联苯-4,4'-二胺(NPB)在不对称单元中具有两个分子的结构最终的R系数为0.0434。在三斜晶系中结晶的化合物,空间群P-1,Z = 2,V = 1597.0(3)? 〜3的晶胞参数a = 10.3077(10)?,b = 11.3545(11)?,c = 14.4778(14)?,α= 82.339(2)°,β= 77.657(2)°,并且γ= 75.526 (2)°。不对称单元中的两个分子的三芳基氨基的取向不同。中心结构中的联苯基是共面的,联苯基部分的两个六个碳环的最小二乘平面之间的角度为零度。分子在晶格中的堆积主要是由于萘基-萘基π-π相互作用的距离为3.861π。

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