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2-[(E)-(2,4-二羟基-亚苄基)氮鎓基]-3-苯基-丙酸酯

2-[(E)-(2,4-Dihy-droxy-benzyl-idene)aza-nium-yl]-3-phenyl-propano-ate.

作者信息

Bahron Hadariah, Fadzel Fatimatuzzahraa Mohd, Kassim Karimah, Hemamalini Madhukar, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1331-2. doi: 10.1107/S1600536811016655. Epub 2011 May 7.

DOI:10.1107/S1600536811016655
PMID:21754728
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120434/
Abstract

The title compound, C(16)H(15)NO(4), exists as a zwitterion in the solid state, with the carb-oxy-lic acid group being deprotonated and the imine N atom being protonated. The mol-ecule adopts an E configuration about the C=N double bond. The dihedral angle between the benzene rings is 46.34 (4)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, adjacent mol-ecules are connected by inter-molecular O-H⋯O and C-H⋯O hydrogen bonds, forming supra-molecular ribbons along the a axis.

摘要

标题化合物C(16)H(15)NO(4)在固态时以两性离子形式存在，其中羧酸基团去质子化，亚胺N原子质子化。分子围绕C=N双键采取E构型。苯环之间的二面角为46.34 (4)°。分子内N-H⋯O氢键形成一个S(6)环结构。在晶体中，相邻分子通过分子间O-H⋯O和C-H⋯O氢键相连，沿a轴形成超分子带。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b468/3120434/870c57f74083/e-67-o1331-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b468/3120434/0fcdbe524b36/e-67-o1331-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b468/3120434/870c57f74083/e-67-o1331-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b468/3120434/0fcdbe524b36/e-67-o1331-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b468/3120434/870c57f74083/e-67-o1331-fig2.jpg

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