新型超分子化合物[Co(tsc)3]2[Co(cit)2](NO3)4·4H2O的合成、晶体结构及Hirshfeld分析。

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-03-01 DOI:10.1107/S2056989025001136

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

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引用次数: 0

摘要

合成了一种新的钴配合物，双-[三-（氨基硫脲）钴（III）]双-[2-（碳氧基甲基）-2-羟基丁烷-dioato]钴（II）四硝酸盐四水合物[Co(CH5N3S)3][Co(C6H6O7)2]0.5(NO3)2·2H2O，定名为[Co(tsc)3]2[Co(cit)2](NO3)4·4H2O。存在两个晶体学上独立的钴中心。在第一种方法中，中心金属原子以双齿方式由三个硫氨基脲配体螯合，而位于晶体倒置中心的第二种金属原子以扭曲的八面体几何形状由两个柠檬酸阴离子六配位。另外，两个水分子和两个硝酸盐阴离子存在于不对称单元中。Hirshfeld表面分析表明，配合物中存在大量的供体和受体基团，它们促进了氢键相互作用，对晶体结构的整体凝聚力有重要贡献。

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Synthesis, crystal structure and Hirshfeld analysis of a novel supramolecular compound [Co(tsc)3]2[Co(cit)2](NO3)4·4H2O

The molecular and crystal structures of the coordination compound [Co(tsc)₃]₂[Co(cit)₂](NO₃)₄·4H₂O are reported. Fingerprint plots were generated to investigate various intermolecular interactions.

A new cobalt complex, bis[tris(aminothiourea)cobalt(III)] bis[2-(carboxymethyl)-2-hydroxybutanedioato]cobalt(II) tetranitrate tetrahydrate, [Co(CH₅N₃S)₃][Co(C₆H₆O₇)₂]_0.5(NO₃)₂·2H₂O, designated as [Co(tsc)₃]₂[Co(cit)₂](NO₃)₄·4H₂O, was synthesized. Two crystallographically independent cobalt centers are present. In the first, the central metal atom is chelated by three thiosemicarbazide ligands in a bidentate fashion whereas the second, positioned on a crystallographic inversion center, is hexacoordinated by two citrate anions in a distorted octahedral geometry. Additionally, two water molecules 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 interactions that contribute significantly to the overall cohesion of the crystal structure.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.