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一种新型超分子化合物[Co(tsc)][Co(cit)](NO)·4HO的合成、晶体结构及 Hirshfeld 分析

Synthesis, crystal structure and Hirshfeld analysis of a novel supra-molecular compound [Co(tsc)][Co(cit)](NO)·4HO.

作者信息

Nuralieva Guzal, Umirzakova Oydinoy, Torambetov Batirbay, Rasulov Abdusamat, Ashurov Jamshid, Kadirova Shakhnoza

机构信息

National University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 Uzbekistan.

Physical and Materials Chemistry Division CSIR-National Chemical Laboratory,Pune-411008 India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 Feb 18;81(Pt 3):248-251. doi: 10.1107/S2056989025001136. eCollection 2025 Mar 1.

Abstract

A new cobalt complex, bis-[tris-(amino-thio-urea)cobalt(III)] bis-[2-(carb-oxy-methyl)-2-hy-droxy-butane-dioato]cobalt(II) tetra-nitrate tetra-hydrate, [Co(CHNS)]Co(CHO)·2HO, designated as [Co(tsc)]Co(cit)·4HO, was synthesized. Two crystallographically independent cobalt centers are present. In the first, the central metal atom is chelated by three thio-semicarbazide ligands in a bidentate fashion whereas the second, positioned on a crystallographic inversion center, is hexa-coordinated by two citrate anions in a distorted octa-hedral geometry. Additionally, two water mol-ecules and two nitrate anions are present in the asymmetric unit. Hirshfeld surface analysis revealed that the presence of numerous donor and acceptor groups in the complex, which facilitate hydrogen-bonding inter-actions that contribute significantly to the overall cohesion of the crystal structure.

摘要

合成了一种新型钴配合物,双-[三-(氨基硫脲)钴(III)] 双-[2-(羧甲基)-2-羟基丁二酸根合]钴(II) 四硝酸四水合物,[Co(CHNS)]Co(CHO)·2HO,命名为[Co(tsc)]Co(cit)·4HO。存在两个晶体学独立的钴中心。在第一个中心,中心金属原子由三个硫代氨基脲配体以双齿方式螯合,而第二个位于晶体学反演中心,由两个柠檬酸根阴离子以扭曲的八面体几何构型六配位。此外,不对称单元中存在两个水分子和两个硝酸根阴离子。 Hirshfeld表面分析表明,配合物中存在大量供体和受体基团,这些基团促进了氢键相互作用,对晶体结构的整体内聚力有显著贡献。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/678a/11891588/95aa77f9c8f1/e-81-00248-fig1.jpg

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