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2-氨基-5-(1H-四唑-5-基)吡啶氯化物

2-Amino-5-(1H-tetra-zol-5-yl)pyridinium chloride.

作者信息

Dai Jing, Wen Xiao-Chun

机构信息

Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 31;64(Pt 11):o2232. doi: 10.1107/S1600536808031164.

DOI:10.1107/S1600536808031164
PMID:21581086
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959660/
Abstract

In the title salt, C(6)H(7)N(6) (+)·Cl(-), there are two organic cations with similar conformations and two chloride anions in the asymmetric unit. The pyridine and tetra-zole rings are essentially coplanar in each cation, with dihedral angles of 4.94 (15) and 5.41 (14)°. The pyridine N atoms are protonated. The crystal packing is stabilized by N-H⋯N and N-H⋯Cl hydrogen bonds, forming an infinite sheets parallel to the (101).

摘要

在标题盐C(6)H(7)N(6)(+)·Cl(-)的不对称单元中,有两个构象相似的有机阳离子和两个氯离子阴离子。每个阳离子中的吡啶环和四唑环基本共面,二面角分别为4.94 (15)°和5.41 (14)°。吡啶N原子被质子化。晶体堆积通过N-H⋯N和N-H⋯Cl氢键得以稳定,形成平行于(101)的无限层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0828/2959660/505f1acb5714/e-64-o2232-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0828/2959660/6e711b756b07/e-64-o2232-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0828/2959660/505f1acb5714/e-64-o2232-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0828/2959660/6e711b756b07/e-64-o2232-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0828/2959660/505f1acb5714/e-64-o2232-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 9;64(Pt 8):o1444. doi: 10.1107/S1600536808017959.
2
catena-Poly[zinc(II)-bis-[μ-5-(2-amino-phenyl)tetra-zolato]-κN,N:N;κN:N,N].链状聚[锌(II)-双-[μ-5-(2-氨基苯基)四唑根合]-κN,N:N;κN:N,N]
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 16;64(Pt 8):m1033. doi: 10.1107/S1600536808021946.
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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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Syntheses, crystal structures, and luminescent properties of three novel zinc coordination polymers with tetrazolyl ligands.三种含四唑基配体的新型锌配位聚合物的合成、晶体结构及发光性质
Inorg Chem. 2005 Jul 25;44(15):5278-85. doi: 10.1021/ic050354x.
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