Synthesis, crystal structure and thermal reactivity of diaquadithiocyanatobis(pyridine-4-carbonitrile)cobalt(II)

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-08-01 Epub Date: 2026-08-12 DOI:10.1107/S2056989026007371

Christian Näther

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引用次数: 0

Abstract

The title compound, [Co(NCS)₂(C₆H₄N₂)₂(H₂O)₂], is isotypic to its Ni analog and to one of the two modifications of Mn(NCS)₂(4-cyanopyridine)(H₂O)₂ reported recently [Näther (2026#). Acta Cryst. E82, 441–445 and Wellm et al. (2020#). Cryst. Growth Des.20, 3374–3385]. Its asymmetric unit is built up of one cobalt cation that occupies a center of inversion, one thiocyanate anion, one neutral 4-cyanopyridine coligand and one water molecule that are located in general positions. The metal cations are sixfold coordinated by two terminally N-bonding thiocyanate anions, two water molecules and two 4-cyanopyridine coligands within a slightly distorted octahedral geometry. The discrete complexes are linked by intermolecular O—H⋯S hydrogen bonding into layers that condense into a three-dimensional network via weak C—H⋯N interactions. Powder X-ray diffraction (PXRD) proves that a pure sample has been obtained. Thermogravimetric measurements reveal that the title compound decomposes in different steps, in which compounds with the composition Co(NCS)₂(4-cyanopyridine)₂ and Co(NCS)₂(4-cyanopyridine) are formed as intermediates, which are not isotypic to the corresponding Mn compounds already reported in the literature [Wellm et al. (2020#). Cryst. Growth Des.20, 3374–3385].

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二水-二硫代-氰基-二（吡啶-4-碳腈）钴的合成、晶体结构和热反应性。

标题化合物[Co(NCS)2(C6H4N2)2(H2O)2]与其Ni类似物和最近报道的Mn(NCS)2（4-氰吡啶）（H2O）2的两种改性之一[Näther（2026▸）]是同型的。Acta结晶。E82, 441-445和Wellm等人（2020▸）。结晶的。中国生物医学工程学报，2016,33(2):444 - 444。它的不对称单元由一个占据反转中心的钴离子、一个硫氰酸阴离子、一个中性的4-氰吡啶配体和一个位于一般位置的水分子组成。金属阳离子是由两个末端n键的硫氰酸盐阴离子、两个水分子和两个4-氰吡啶配体在一个稍微扭曲的八面体几何结构中六倍配位的。离散的配合物通过分子间O-H⋯S氢键连接成层，通过弱C-H⋯N相互作用凝聚成三维网络。粉末x射线衍射（PXRD）证实得到了纯净的样品。热重测量表明，标题化合物的分解有不同的步骤，其中Co(NCS)2（4-氰吡啶）2和Co(NCS)2（4-氰吡啶）作为中间体形成化合物，与文献中报道的相应的Mn化合物不同型[Wellm et al.（2020▸）]。结晶的。中国生物医学工程学报，2016,33(2):444 - 444。

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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.

Synthesis, crystal structure and thermal reactivity of di­aqua­dithio­cyanato­bis­(pyridine-4-carbo­nitrile)cobalt(II)

Abstract

Synthesis, crystal structure and thermal reactivity of diaquadithiocyanatobis(pyridine-4-carbonitrile)cobalt(II)