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4-乙基哌嗪-1-鎓 3,5-二硝基苯甲酸盐、4-甲基哌嗪-1-鎓 3,5-二硝基苯甲酸盐和 4-甲基哌嗪-1-鎓 4-碘苯甲酸盐的晶体结构研究

Crystal structure studies of 4-ethyl-piperazin-1-ium 3,5-di-nitro-benzoate, 4-methyl-piperazin-1-ium 3,5-di-nitro-benzoate and 4-methyl-piperazin-1-ium 4-iodo-benzoate.

作者信息

Archana Sriramapura D, Kumar Haruvegowda Kiran, Yathirajan Hemmige S, Foro Sabine, Abdelbaky Mohammed S M, Garcia-Granda Santiago

机构信息

Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore-570 006, India.

Institute of Materials Science, Darmstadt University of Technology, Alarich-Weiss-Strasse 2, D-64287 Darmstadt, Germany.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Oct 21;77(Pt 11):1135-1139. doi: 10.1107/S2056989021010689. eCollection 2021 Nov 1.

DOI:10.1107/S2056989021010689
PMID:34868651
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8587970/
Abstract

As part of our ongoing investigation on the chemical and biological properties of piperazinium salts, we synthesized three novel compounds: 1-ethyl-piperazinium 3,5-di-nitro-benzoate (I), 1-methyl-piperazinium 3,5-di-nitro-benzoate (II) and 1-methyl-piperazinium 4-iodo-benzoate (III). The crystal structures of these compounds are built up of organic layers formed by the strong connection between the mol-ecules by hydrogen bonds of type N-H⋯O. These layers are linked through N-H⋯O hydrogen bonds and C-H⋯O inter-actions or C-I⋯N halogen bonding, leading to the formation of a three-dimensional network.

摘要

作为我们对哌嗪鎓盐的化学和生物学性质正在进行的研究的一部分，我们合成了三种新型化合物：1-乙基-哌嗪鎓3,5-二硝基苯甲酸盐（I）、1-甲基-哌嗪鎓3,5-二硝基苯甲酸盐（II）和1-甲基-哌嗪鎓4-碘苯甲酸盐（III）。这些化合物的晶体结构由通过N-H⋯O型氢键在分子间形成的强连接所构成的有机层组成。这些层通过N-H⋯O氢键和C-H⋯O相互作用或C-I⋯N卤键相连，从而形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/4af3344d0382/e-77-01135-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/e540fe169f38/e-77-01135-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/bacd58290810/e-77-01135-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/89bde1752817/e-77-01135-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/02b199ef4d97/e-77-01135-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/1918f4c9aecf/e-77-01135-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/4af3344d0382/e-77-01135-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/e540fe169f38/e-77-01135-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/bacd58290810/e-77-01135-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/89bde1752817/e-77-01135-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/02b199ef4d97/e-77-01135-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/1918f4c9aecf/e-77-01135-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a18a/8587970/4af3344d0382/e-77-01135-fig6.jpg

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