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琥珀酸四水合双(异烟酰胺-κ)钴(II)的合成、晶体结构及 Hirshfeld 表面分析

Synthesis, crystal structure and Hirshfeld surface analysis of tetra-aqua-bis-(isonicotinamide-κ)cobalt(II) succinate.

作者信息

Kansiz Sevgi, Malinkin Sergey, Dege Necmi

机构信息

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

Department of Chemistry, National Taras Shevchenko University of Kiev, 64/13 Volodymyrska Street, City of Kyiv 01601, Ukraine.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Jun 28;74(Pt 7):1026-1029. doi: 10.1107/S2056989018008861. eCollection 2018 Jul 1.

DOI:10.1107/S2056989018008861
PMID:30002909
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6038622/
Abstract

The reaction of CoCl with succinic acid and isonicotinamide in basic solution produces the title complex Co(CHNO)(HO). The cobalt(II) ion of the complex cation and the succinate anion are each located on an inversion centre. The Co ion is octa-hedrally coordinated by four O atoms of water mol-ecules and two N atoms of isonicotinamide mol-ecules. The two ions are linked O-H⋯O hydrogen bonds, forming chains propagating along [001]. In the crystal, these hydrogen-bonded chains are linked into a three-dimensional framework by further O-H⋯O hydrogen bonds and N-H⋯O hydrogen bonds. The framework is reinforced by C-H⋯O hydrogen bonds. Hirshfeld surface analysis and two-dimensional fingerprint plots have been used to analyse the inter-molecular inter-actions present in the crystal.

摘要

氯化钴与琥珀酸和异烟酰胺在碱性溶液中反应生成标题配合物Co(CHNO)(HO)。配合物阳离子中的钴(II)离子和琥珀酸根阴离子均位于对称中心上。Co离子由水分子的四个O原子和异烟酰胺分子的两个N原子八面体配位。这两种离子通过O-H⋯O氢键相连,形成沿[001]方向延伸的链。在晶体中,这些氢键链通过进一步的O-H⋯O氢键和N-H⋯O氢键连接成三维框架。该框架通过C-H⋯O氢键得到加强。已使用 Hirshfeld 表面分析和二维指纹图谱来分析晶体中存在的分子间相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/4710127a2351/e-74-01026-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/1e5dd90bd042/e-74-01026-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/683d8b9e1d63/e-74-01026-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/00be8c041082/e-74-01026-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/127822048e07/e-74-01026-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/e932ffc55eb3/e-74-01026-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/4710127a2351/e-74-01026-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/1e5dd90bd042/e-74-01026-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/683d8b9e1d63/e-74-01026-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/00be8c041082/e-74-01026-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/127822048e07/e-74-01026-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/e932ffc55eb3/e-74-01026-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/587a/6038622/4710127a2351/e-74-01026-fig6.jpg

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