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4-苯哌嗪-1-鎓4-乙氧基苯甲酸酯一水合物、4-苯哌嗪-1-鎓4-甲氧基苯甲酸酯一水合物、4-苯哌嗪-1-鎓4-甲基苯甲酸酯一水合物及4-苯哌嗪-1-鎓三氟乙酸酯0.12水合物的晶体结构研究

Crystal-structure studies of 4-phenyl-piperazin-1-ium 4-eth-oxy-benzoate monohydrate, 4-phenyl-piperazin-1-ium 4-meth-oxy-benzoate monohydrate, 4-phenyl-piperazin-1-ium 4-methyl-benzoate monohydrate and 4-phenyl-piperazin-1-ium tri-fluoro-acetate 0.12-hydrate.

作者信息

Mahesha Ninganayaka, Kumar Haruvegowda Kiran, Akkurt Mehmet, 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.

Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Jun 10;78(Pt 7):709-715. doi: 10.1107/S2056989022006004. eCollection 2022 Jul 1.

Abstract

In this study, four new piperazinium salts, namely, 4-phenyl-piperazin-1-ium 4-eth-oxy-benzoate monohydrate, CHO·CHN·HO (); 4-phenyl-piperazin-1-ium 4-meth-oxy-benzoate monohydrate, CHN·CHO·HO (); 4-phenyl-piperazin-1-ium 4-methyl-benzoate monohydrate, CHN·CHO·HO (); and 4-phenyl-piperazin-1-ium tri-fluoro-acetate 0.12 hydrate, CHN·CFO·0.12HO (), have been synthesized. The single-crystal structures of these compounds reveal that all of them crystallize in the triclinic space group and the crystal packing of ()-() is built up of ribbons formed by a combination of hydrogen bonds of type N-H⋯O, O-H⋯O and other weak inter-actions of type C-H⋯O and C-H⋯π, leading to a three-dimensional network. In the crystal of (), the cations and the anions are connected by C-H⋯O, N-H⋯O and C-H⋯F hydrogen bonds and by C-H⋯π inter-actions, forming sheets which in turn inter-act to maintain the crystal structure by linking through the oxygen atoms of water mol-ecules and van der Waals inter-actions, giving the whole structure.

摘要

在本研究中,合成了四种新型哌嗪盐,即4-苯基哌嗪-1-鎓4-乙氧基苯甲酸盐一水合物,C₁₂H₁₈N₂O·C₈H₈O₃·H₂O (); 4-苯基哌嗪-1-鎓4-甲氧基苯甲酸盐一水合物,C₁₂H₁₈N₂O·C₈H₈O₃·H₂O (); 4-苯基哌嗪-1-鎓4-甲基苯甲酸盐一水合物,C₁₂H₁₈N₂O·C₈H₈O₂·H₂O (); 以及4-苯基哌嗪-1-鎓三氟乙酸盐0.12水合物,C₁₂H₁₈N₂O·CF₃CO₂H·0.12H₂O (). 这些化合物的单晶结构表明,它们均结晶于三斜晶系空间群,() - ()的晶体堆积由N-H⋯O、O-H⋯O型氢键以及C-H⋯O和C-H⋯π型其他弱相互作用组合形成的带状结构构成,形成三维网络。在()的晶体中,阳离子和阴离子通过C-H⋯O、N-H⋯O和C-H⋯F氢键以及C-H⋯π相互作用相连,形成片层结构,这些片层结构又通过水分子的氧原子和范德华相互作用相互作用以维持晶体结构,从而形成整个结构。

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