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二氯锌酸(II)8-氮杂喹啉鎓盐的晶体结构和 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 8-aza-niumylquinolinium tetra-chlorido-zincate(II).

作者信息

Umirova Gulnora A, Turaev Khayit Kh, Alimnazarov Bekmurod Kh, Kasimov Sherzod A, Djalilov Abdulakhat T, Ibragimov Bakhtiyar T, Ashurov Jamshid M

机构信息

Termez State University, Barkamol avlod street 43, Termez city, Uzbekistan.

Tashkent Scientific Research Institute of Chemical Technology, Township Shura-bazar, District of Zangiata, Tashkent 111116, Uzbekistan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2023 Aug 30;79(Pt 9):856-861. doi: 10.1107/S2056989023007466. eCollection 2023 Sep 1.

Abstract

The reaction of 8-amino-quinoline, zinc chloride and hydro-chloric acid in ethanol yielded the title salt, (CHN)[ZnCl], which consists of a planar 8-aza-n-ium-yl-quinolinium dication and a tetra-hedral tetra-chloro-zincate dianion. The 8-amino-quinoline moiety is protonated at both the amino and the ring N atoms. In the crystal, the cations and anions are connected by inter-molecular N-H⋯Cl and C-H⋯Cl hydrogen bonds, forming sheets parallel to (001). Adjacent sheets are linked through π-π inter-actions involving the pyridine and arene rings of the 8-aza-niumylquinolinium dication. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯Cl (48.1%), H⋯H (19.9%), H⋯C/C⋯H (14.3%) (involving the cations) and H⋯Cl (82.6%) (involving the anions) interactions.

摘要

8-氨基喹啉、氯化锌和盐酸在乙醇中的反应生成了标题盐(CHN)[ZnCl],它由一个平面的8-氮杂-鎓-基-喹啉鎓双阳离子和一个四面体四氯锌酸根双阴离子组成。8-氨基喹啉部分在氨基和环氮原子上均被质子化。在晶体中,阳离子和阴离子通过分子间的N-H⋯Cl和C-H⋯Cl氢键相连,形成平行于(001)的片层。相邻片层通过涉及8-氮杂-鎓基喹啉鎓双阳离子的吡啶环和芳环的π-π相互作用相连。 Hirshfeld表面分析表明,对晶体堆积最重要的贡献来自H⋯Cl(48.1%)、H⋯H(19.9%)、H⋯C/C⋯H(14.3%)(涉及阳离子)和H⋯Cl(82.6%)(涉及阴离子)相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/19e6/10483548/5b206bd18bb8/e-79-00856-fig1.jpg

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