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(E)-4-羟基-2-[(2-羟基苯基)亚氨基甲基]苯酚盐

(E)-4-Hy-droxy-2-[(2-hy-droxy-phen-yl)iminiometh-yl]phenolate.

作者信息

Eltayeb Naser Eltaher, Teoh Siang Guan, Fun Hoong-Kun, Chantrapromma Suchada

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 5;66(Pt 7):o1536-7. doi: 10.1107/S1600536810020295.

DOI:10.1107/S1600536810020295
PMID:21587785
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006709/
Abstract

The title compound, C(13)H(11)NO(3), crystallizes in a zwitterionic form and has a trans configuration about the C=N bond. The mol-ecule is almost planar, the dihedral angle between the two benzene rings being 4.32 (8)°. The two hy-droxy substit-uents are coplanar with each of their attached benzene rings [r.m.s. deviations of 0.0053 (2) and 0.0052 (2) Å]. An intra-molecular N-H⋯O hydrogen bond formed between the iminium N and the phenolate O atom generates an S(6) ring motif. In the crystal, the mol-ecules are linked through O-H⋯O hydrogen bonds into chains along [110]. Two neighbouring chains are further connected through O-H⋯O hydrogen bonds in an anti-parallel manner. π-π inter-actions are also observed, with centroid-centroid distances of 3.7115 (19) and 3.743 (2) Å.

摘要

标题化合物C(13)H(11)NO(3)以两性离子形式结晶,且C=N键具有反式构型。分子几乎呈平面状,两个苯环之间的二面角为4.32 (8)°。两个羟基取代基与其相连的每个苯环共面[r.m.s.偏差分别为0.0053 (2)和0.0052 (2) Å]。亚胺鎓N与酚盐O原子之间形成的分子内N-H⋯O氢键生成了一个S(6)环结构单元。在晶体中,分子通过O-H⋯O氢键沿[110]方向连接成链。两条相邻的链通过O-H⋯O氢键以反平行方式进一步连接。还观察到π-π相互作用,质心间距为3.7115 (19)和3.743 (2) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2766/3006709/497a7828533c/e-66-o1536-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2766/3006709/4b4834b0bd6f/e-66-o1536-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2766/3006709/497a7828533c/e-66-o1536-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2766/3006709/4b4834b0bd6f/e-66-o1536-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2766/3006709/497a7828533c/e-66-o1536-fig2.jpg

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