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3-（2H-四唑-5-基）吡啶三氟乙酸盐

3-(2H-Tetra-zol-5-yl)pyridinium trifluoro-acetate.

作者信息

Zhang Li

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. 2009 Sep 9;65(Pt 10):o2399. doi: 10.1107/S1600536809033054.

DOI:10.1107/S1600536809033054
PMID:21577862
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2970170/
Abstract

In the cation of the title compound, C(6)H(6)N(5) (+)·CF(3)COO(-), the pyridine and tetra-zole rings are nearly coplanar, making a dihedral angle of 2.49 (19)°. In the crystal, the cations and anions are connected by inter-molecular N-H⋯O and N-H⋯(F,O) hydrogen bonds, forming centrosymmetric [2 + 2] aggregates, which stack along the a axis.

摘要

在标题化合物C(6)H(6)N(5) (+)·CF(3)COO(-)的阳离子中，吡啶环和四唑环近乎共面，二面角为2.49 (19)°。在晶体中，阳离子和阴离子通过分子间N-H⋯O和N-H⋯(F,O)氢键相连，形成中心对称的[2 + 2]聚集体，这些聚集体沿a轴堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1f2/2970170/32b7ec3f5ff7/e-65-o2399-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1f2/2970170/6e41df5b1991/e-65-o2399-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1f2/2970170/32b7ec3f5ff7/e-65-o2399-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1f2/2970170/6e41df5b1991/e-65-o2399-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b1f2/2970170/32b7ec3f5ff7/e-65-o2399-fig2.jpg

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The first metal-organic framework (MOF) of Imazethapyr and its SHG, piezoelectric and ferroelectric properties.
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