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(E)-2-{[(4-苯胺基苯基)亚氨基]甲基}苯酚的晶体结构

Crystal structure of (E)-2-{[(4-anilinophen-yl)imino]-meth-yl}phenol.

作者信息

Faizi Md Serajul Haque, Iskenderov Turganbay S, Sharkina Natalia O

机构信息

Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur, UP 208 016, India.

National Taras Shevchenko University, Department of Chemistry, Volodymyrska str. 64, 01601 Kyiv, Ukraine.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):28-30. doi: 10.1107/S2056989014026309.

Abstract

The title compound, C19H16N2O, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. There is an intra-molecular O-H⋯N hydrogen bond in each mol-ecule with the phenol ring being inclined to the central benzene ring by 4.93 (14) and 7.12 (14)° in mol-ecules A and B, respectively. The conformation of the two mol-ecules differs essentially in the orientation of the terminal amino-phenyl ring with respect to the central benzene ring; this dihedral angle is 50.51 (4)° in mol-ecule A and 54.61 (14)° in mol-ecule B. The two outer aromatic rings are inclined to one another by 51.39 (14) and 49.88 (14)° in mol-ecules A and B, respectively. In the crystal, mol-ecules are connected by N-H⋯O hydrogen bonds generating -A-B-A-B- zigzag chains extending along [010]. The chains are linked via C-H⋯π inter-actions involving neighbouring A mol-ecules, forming slabs lying parallel to (100).

摘要

标题化合物C₁₉H₁₆N₂O在不对称单元中由两个独立分子(A和B)结晶而成。每个分子中存在分子内O—H⋯N氢键,在分子A和B中,酚环相对于中心苯环的倾斜角度分别为4.93 (14)°和7.12 (14)°。两个分子的构象主要在末端氨基苯环相对于中心苯环的取向上有所不同;该二面角在分子A中为50.51 (4)°,在分子B中为54.61 (14)°。在分子A和B中,两个外部芳香环彼此的倾斜角度分别为51.39 (14)°和49.88 (14)°。在晶体中,分子通过N—H⋯O氢键相连,形成沿[010]方向延伸的 -A-B-A-B- 锯齿链。这些链通过涉及相邻A分子的C—H⋯π相互作用相连,形成平行于(100)的片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a2ef/4331856/ac2762aa9687/e-71-00028-fig1.jpg

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