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5-氨基-6-甲基喹啉-1-鎓 3-羧基丙酸酯

5-Amino-6-methyl-quinolin-1-ium 3-carb-oxy-propano-ate.

作者信息

Thanigaimani Kaliyaperumal, Khalib Nuridayanti Che, Arshad Suhana, Razak Ibrahim Abdul

机构信息

School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 16;69(Pt 4):o539-40. doi: 10.1107/S1600536813006673. Print 2013 Apr 1.

DOI:10.1107/S1600536813006673
PMID:23634079
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3629592/
Abstract

The asymmetric unit of the title salt, C10H11N2 (+)·C4H5O4 (-), consists of two independent 5-amino-6-methyl-quinolin-1-ium cations and two 3-carb-oxy-propano-ate anions. Both cations are protonated at the pyridine N atoms and are essentially planar, with maximum deviations of 0.026 (3) and 0.016 (2) Å. In the crystal, the cations and anions are linked via N-H⋯O and O-H⋯O hydrogen bonds, forming a layer parallel to the ab plane. In the layer, weak C-H⋯O hydrogen bonds and π-π stacking inter-actions, with centroid-to-centroid distances of 3.7283 (15) and 3.8467 (15) Å, are observed. The crystal structure also features weak C-H⋯O hydrogen bonds between the layers.

摘要

标题盐C10H11N2(+)·C4H5O4(-)的不对称单元由两个独立的5-氨基-6-甲基喹啉-1-ium阳离子和两个3-羧基丙酸根阴离子组成。两个阳离子均在吡啶N原子处质子化,且基本呈平面状,最大偏差分别为0.026(3)和0.016(2)Å。在晶体中,阳离子和阴离子通过N-H⋯O和O-H⋯O氢键相连,形成平行于ab平面的层。在该层中,观察到弱的C-H⋯O氢键和π-π堆积相互作用,质心间距为3.7283(15)和3.8467(15)Å。晶体结构在层间还具有弱的C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe1b/3629592/8bcf13276873/e-69-0o539-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe1b/3629592/41bc3b8f8c7d/e-69-0o539-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe1b/3629592/8bcf13276873/e-69-0o539-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe1b/3629592/41bc3b8f8c7d/e-69-0o539-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fe1b/3629592/8bcf13276873/e-69-0o539-fig2.jpg

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