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2,3-二氨基吡啶4-羧基丁酸酯

2,3-Diamino-pyridinium 4-carb-oxy-butano-ate.

作者信息

Hemamalini Madhukar, Goh Jia Hao, Fun Hoong-Kun

机构信息

X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3123. doi: 10.1107/S1600536811044473. Epub 2011 Oct 29.

DOI:10.1107/S1600536811044473
PMID:22220125
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3247507/
Abstract

In the title mol-ecular salt, C(5)H(8)N(3) (+)·C(5)H(7)O(4) (-), the 2,3-diamino-pyridine mol-ecule is protonated at the pyridine N atom. The cation is essentially planar, with a maximum deviation of 0.015 (2) Å, and the anion adopts an extended conformation. In the crystal, the hydrogen glutarate (4-carb-oxy-butano-ate) anions are self-assembled through O-H⋯O hydrogen bonds, forming chains. The cations are connected to the anion chains via N-H⋯O hydrogen bonds, forming a three-dimensional network. The crystal structure also features aromatic π-π inter-actions between the pyridinium cations, with a centroid-centroid distance of 3.4464 (10) Å.

摘要

在标题分子盐C(5)H(8)N(3) (+)·C(5)H(7)O(4) (-)中,2,3-二氨基吡啶分子在吡啶N原子处质子化。阳离子基本呈平面状,最大偏差为0.015 (2) Å,阴离子呈伸展构象。在晶体中,氢戊二酸根(4-羧基丁酸根)阴离子通过O-H⋯O氢键自组装形成链。阳离子通过N-H⋯O氢键与阴离子链相连,形成三维网络。晶体结构还具有吡啶鎓阳离子之间的芳香π-π相互作用,质心间距为3.4464 (10) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e36/3247507/e9b6a756476a/e-67-o3123-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e36/3247507/7bc20ccff727/e-67-o3123-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e36/3247507/e9b6a756476a/e-67-o3123-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e36/3247507/7bc20ccff727/e-67-o3123-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e36/3247507/e9b6a756476a/e-67-o3123-fig2.jpg

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