首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of 2-{(E)-(4-anilinophen­yl)iminium­ylmeth­yl}-5-(di­ethyl­amino)­phenolate
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Crystal structure of 2-{(E)-(4-anilinophen­yl)iminium­ylmeth­yl}-5-(di­ethyl­amino)­phenolate

机译:2-{((E)-(4-苯胺基苯甲基)亚甲基­基甲基­基} -5-(二-5-乙基­氨基)­酚盐的晶体结构

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摘要

The title compound, C23H25N3O, crystallized with one single mol­ecule in the asymmetric unit and is present in the zwitterionic form. There is an intra­molecular N—H⋯O hydrogen bond in the mol­ecule with the phenol ring being inclined to the central benzene ring by 20.67 (14)°. The terminal amino­phenyl ring forms a dihedral angle of 54.21 (14)° with the central benzene ring. The two outer aromatic rings are inclined to one another by 74.54 (14)°. In the crystal, the mol­ecules are connected by N—H⋯O hydrogen bonds, with adjacent molecules related by a 21 screw axis, generating –A–B–A–B– zigzag chains extending along [010]. The chains are linked via C—H⋯π and π–π inter­actions [with a centroid–centroid distance of 3.444 (3) Å] between the benzene ring and the imino group of symmetry-related mol­ecules, forming slabs lying parallel to (100).
机译:标题化合物C23H25N3O以一个不对称单元的单个分子结晶,并以两性离子形式存在。分子中存在分子内的N-H = O氢键,酚环相对于中心苯环倾斜20.67°(14)°。末端氨基­苯环与中心苯环形成二面角为54.21(14)°。两个外芳环彼此倾斜74.54(14)°。在晶体中,分子通过N-H⋯O氢键连接,相邻分子之间通过21个螺旋轴相连,从而生成沿[010]延伸的–AB–AB–B–之字形链。链通过苯环与对称相关分子的亚氨基基团之间的CH-π和π-π相互作用[质心-质心距离为3.4443(3)]Å]连接,形成平行于(100 )。

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