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2-(2H-四唑-5-基)氯化吡啶鎓

2-(2H-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 15;64(Pt 11):o2113. doi: 10.1107/S1600536808032649.

DOI:10.1107/S1600536808032649
PMID:21580977
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959608/
Abstract

In the title compound, C(6)H(6)N(5) (+)·Cl(-), the pyridinium and tetra-zole rings are essentially coplanar. The pyridine N atoms are protonated. In the crystal structure, mol-ecules are connected via N-H⋯Cl, C-H⋯Cl, C-H⋯N and N-H⋯N hydrogen bonds into layers that are parallel to the (001) plane. There are two crystallographically independent mol-ecules in the asymmetric unit which are located on mirror planes.

摘要

在标题化合物C(6)H(6)N(5)⁺·Cl⁻中,吡啶鎓环和四唑环基本共面。吡啶氮原子被质子化。在晶体结构中,分子通过N-H⋯Cl、C-H⋯Cl、C-H⋯N和N-H⋯N氢键连接成平行于(001)平面的层。不对称单元中有两个晶体学独立的分子,它们位于镜面上。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1a15/2959608/f8854b259019/e-64-o2113-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1a15/2959608/8f51b977c2b0/e-64-o2113-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1a15/2959608/f8854b259019/e-64-o2113-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1a15/2959608/8f51b977c2b0/e-64-o2113-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1a15/2959608/f8854b259019/e-64-o2113-fig2.jpg

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本文引用的文献

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2-{4-[5-(3-Pyrid-yl)-2H-tetra-zol-2-ylmeth-yl]phen-yl}benzonitrile.2-{4-[5-(3-吡啶基)-2H-四唑-2-基甲基]苯基}苯甲腈
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 9;64(Pt 8):o1444. doi: 10.1107/S1600536808017959.
2
Diaqua-[5-(2-pyrid-yl)tetra-zolato-κN,N]manganese(II).二水合-[5-(2-吡啶基)四唑-κN,N]锰(II)
Acta Crystallogr Sect E Struct Rep Online. 2008 May 3;64(Pt 6):m768. doi: 10.1107/S1600536808010106.
3
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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Novel, acentric metal-organic coordination polymers from hydrothermal reactions involving in situ ligand synthesis.通过涉及原位配体合成的水热反应制备的新型无中心金属有机配位聚合物。
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