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2-羟基-5-{[(E)-4-甲氧基-亚苄基]氮鎓基}苯甲酸酯

2-Hy-droxy-5-{[(E)-4-meth-oxy-benzyl-idene]aza-nium-yl}benzoate.

作者信息

Tahir M Nawaz, Tariq Muhammad Ilyas, Ahmad Shahbaz, Sarfraz Muhammad

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 11;66(Pt 10):o2553-4. doi: 10.1107/S1600536810036172.

DOI:10.1107/S1600536810036172
PMID:21587541
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983260/
Abstract

In the title zwitterion, C(15)H(13)NO(4), obtained from the condensation of 5-amino-salicylic acid and 4-meth-oxy-benz-alde-hyde, the 4-hydoxyanilinic group of the 5-amino-salicylic acid moiety and the 4-meth-oxy-benzaldehyde moiety are twisted with respect to one another, making a dihedral angle of 10.37 (7)°. The carboxyl-ate group makes a dihedral angle of 5.7 (2)° with the parent 4-hydoxyanilinic group. An intra-molecular O-H⋯O hydrogen bond forms an S(6) ring motif. In the crystal, inter-molecular C-H⋯O and N-H⋯O hydrogen bonds with R(2) (1)(7) ring motifs link the mol-ecules into infinite chains extending along the c axis. The occurence of slipped π-π stacking between symmetry-related aromatic rings reinforces the packing.

摘要

在通过5-氨基水杨酸与4-甲氧基苯甲醛缩合得到的两性离子标题化合物C(15)H(13)NO(4)中，5-氨基水杨酸部分的4-羟基苯胺基与4-甲氧基苯甲醛部分相互扭曲，二面角为10.37 (7)°。羧酸根基团与母体4-羟基苯胺基的二面角为5.7 (2)°。分子内的O-H⋯O氢键形成S(6)环模式。在晶体中，具有R(2)(1)(7)环模式的分子间C-H⋯O和N-H⋯O氢键将分子连接成沿c轴延伸的无限链。对称相关芳香环之间的滑移π-π堆积的出现加强了堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3fa1/2983260/e97cc2d82c1c/e-66-o2553-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3fa1/2983260/12b54dbb1b35/e-66-o2553-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3fa1/2983260/e97cc2d82c1c/e-66-o2553-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3fa1/2983260/12b54dbb1b35/e-66-o2553-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3fa1/2983260/e97cc2d82c1c/e-66-o2553-fig2.jpg

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