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（琥珀酸根-κ）[，，，'-四-（2-羟乙基）乙二胺-κ ，，，']镍（II）四水合物的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of (succinato-κ)[,,','-tetra-kis-(2-hy-droxy-eth-yl)ethyl-enedi-amine-κ ,,',','']nickel(II) tetra-hydrate.

作者信息

Kansiz Sevgi, Dege Necmi, Topcu Yildiray, Atalay Yusuf, Gaidai Snizhana V

机构信息

Ondokuz Mayıs University, Faculty of Arts and Sciences, Department of Physics, 55139, Kurupelit, Samsun, Turkey.

Ondokuz Mayıs University, Faculty of Engineering, Chemical Engineering Department, 55139, Samsun, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Nov 6;74(Pt 12):1700-1704. doi: 10.1107/S2056989018015359. eCollection 2018 Dec 1.

DOI:10.1107/S2056989018015359
PMID:30574359
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6281127/
Abstract

In the title compound, [Ni(CHNO)(CHO)]·4HO, the Ni cation is octa-hedrally coordinated by one O atom of the succinate anion and three O atoms and two N atoms from an ,,','-tetra-kis-(2-hy-droxy-eth-yl)ethyl-enedi-amine mol-ecule. In the crystal, mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular architecture. Hirshfeld surface analyses and two-dimensional fingerprint plots were used to analyse the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (63.3%) and H⋯O/O⋯H (34.5%) inter-actions.

摘要

在标题化合物[Ni(CHNO)(CHO)]·4HO中，镍阳离子由琥珀酸根阴离子的一个氧原子以及来自一个,,','-四-（2-羟乙基）乙二胺分子的三个氧原子和两个氮原子八面体配位。在晶体中，分子通过O-H⋯O和C-H⋯O氢键相连，形成三维超分子结构。使用 Hirshfeld 表面分析和二维指纹图谱分析晶体中存在的分子间相互作用，表明晶体堆积的最重要贡献来自H⋯H（63.3%）和H⋯O/O⋯H（34.5%）相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/e87f5d083d89/e-74-01700-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/ef2e06cc338f/e-74-01700-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/5487b7a87fa2/e-74-01700-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/195d6eb0444e/e-74-01700-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/3291c48b13f4/e-74-01700-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/24d29412c8ec/e-74-01700-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/33e2f35bf561/e-74-01700-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/e87f5d083d89/e-74-01700-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/ef2e06cc338f/e-74-01700-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/5487b7a87fa2/e-74-01700-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/195d6eb0444e/e-74-01700-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/3291c48b13f4/e-74-01700-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/24d29412c8ec/e-74-01700-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/33e2f35bf561/e-74-01700-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b986/6281127/e87f5d083d89/e-74-01700-fig7.jpg

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