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六种4-(4-硝基苯基)哌嗪-1-鎓盐的晶体结构

Crystal structures of six 4-(4-nitro-phenyl)-piperazin-1-ium salts.

作者信息

Mahesha Ninganayaka, Kiran Kumar Haruvegowda, 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. 2022 Apr 26;78(Pt 5):510-518. doi: 10.1107/S2056989022004157. eCollection 2022 May 1.

Abstract

Six piperazinium salts, namely 4-(4-nitro-phenyl)-piperazin-1-ium 4-bromo-ben-zo-ate dihydrate, CHNO ·CHBrO ·2HO, (I), 4-(4-nitro-phenyl)-pi-per-a-zin-1-ium 4-iodo-benzoate dihydrate, CHNO ·CHIO ·2HO, (II), 4-(4-nitro-phenyl)-piperazin-1-ium 4-hy-droxy-benzoate monohydrate, CHNO ·CHO ·HO, (III), 4-(4-nitro-phenyl)-piperazin-1-ium 4-methyl-benzoate monohydrate, CHNO ·CHO ·HO, (IV), 4-(4-nitro-phenyl)-piperazin-1-ium 4-meth-oxy-benzoate hemihydrate, 2CHNO ·2CHO ·HO, (V), and 4-(4-nitro-phenyl)-piperazin-1-ium 4-eth-oxy-benzoate, 2CHNO ·2CHO , (VI), have been synthesized and their crystal structures solved by single-crystal X-ray diffraction, revealing that all of them crystallize in the triclinic space group except for (V), which crystallizes in the monoclinic space group 2/ and has a disordered nitro group. Compounds (I) and (II) are isostructural. The crystal packing of (I)-(V) is constructed from organic chains formed by a combination of hydrogen bonds of type N-H⋯O and/or O-H⋯O and other weak inter-actions of type C-H⋯O and/or C-H⋯π, forming sheets, whereas (VI) shows a cationic and anionic-based layer structure.

摘要

已合成了六种哌嗪鎓盐,即4-(4-硝基苯基)哌嗪-1-鎓4-溴苯甲酸二水合物,CHNO·CHBrO·2HO,(I);4-(4-硝基苯基)哌嗪-1-鎓4-碘苯甲酸二水合物,CHNO·CHIO·2HO,(II);4-(4-硝基苯基)哌嗪-1-鎓4-羟基苯甲酸一水合物,CHNO·CHO·HO,(III);4-(4-硝基苯基)哌嗪-1-鎓4-甲基苯甲酸一水合物,CHNO·CHO·HO,(IV);4-(4-硝基苯基)哌嗪-1-鎓4-甲氧基苯甲酸半水合物,2CHNO·2CHO·HO,(V);以及4-(4-硝基苯基)哌嗪-1-鎓4-乙氧基苯甲酸,2CHNO·2CHO,(VI),并通过单晶X射线衍射解析了它们的晶体结构,结果表明除(V)结晶于单斜空间群2/且硝基无序外,其余所有化合物均结晶于三斜空间群。化合物(I)和(II)是同构的。(I)-(V)的晶体堆积由N-H⋯O和/或O-H⋯O型氢键以及C-H⋯O和/或C-H⋯π型其他弱相互作用组合形成的有机链构成,形成片层结构,而(VI)呈现出基于阳离子和阴离子的层状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/66a8/9069513/8992d9bbf8fc/e-78-00510-fig1.jpg

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