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6,6'-二叔丁基-2,2'-[1,2-亚苯基-双(次氮基甲基亚基)]二苯酚

6,6'-Di-tert-butyl-2,2'-[1,2-phenyl-ene-bis(nitrilo-methyl-idyne)]diphenol.

作者信息

Eltayeb Naser Eltaher, Teoh Siang Guan, Yeap Chin Sing, Fun Hoong-Kun, Adnan Rohana

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 21;65(Pt 12):o3142-3. doi: 10.1107/S1600536809048922.

Abstract

The mol-ecule of the title Schiff base compound, C(28)H(32)N(2)O(2), has a twisted geometry, the dihedral angles between the central benzene ring and the other two benzene rings being 29.12 (14) and 26.01 (14)°. Four intra-molecular C-H⋯O hydrogen bonds and two intra-molecular O-H⋯N hydrogen bonds stabilize the mol-ecular structure. In the crystal packing, mol-ecules are stacked along the a axis and stabilized by π-π inter-actions [centroid-centroid distance = 3.6724 (17) Å]. The crystal studied was found to be a non-merohedral twin, the refined ratio of twin components being 0.374 (5):0.626 (5).

摘要

标题席夫碱化合物C(28)H(32)N(2)O(2)的分子具有扭曲的几何形状,中心苯环与另外两个苯环之间的二面角分别为29.12 (14)°和26.01 (14)°。四个分子内C—H⋯O氢键和两个分子内O—H⋯N氢键稳定了分子结构。在晶体堆积中,分子沿a轴堆积,并通过π-π相互作用[质心-质心距离 = 3.6724 (17) Å]得以稳定。研究发现所研究的晶体为非等轴孪晶,孪晶组分的精修比例为0.374 (5):0.626 (5)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/59c6/2972107/13048bbc94a2/e-65-o3142-fig1.jpg

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