直到[1,2-bis (4-fluoro-phen-yl) ethyl-ene-1,2-di-thiol-ato(1)]镍(II) .

IF 0.6 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-09-01 DOI:10.1107/S2056989025007303

Joseph B. Donahue , Titir Das Gupta , Laura Fiabane , Xiaodong Zhang , James P. Donahue

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引用次数: 0

摘要

标题化合物[Ni(C14H8F2S2)2] (I)的晶体结构显示，S-C [1.708 (2) Å]和c -螯合物[1.395 (4)Å]的平均键长与自由基单阴离子配体与二价Ni2+离子配对一致。I的分子通过分子间Ni⋯S紧密接触3.396 (2)Å缔合成二联体。这种紧密的结合是通过两个二巯基配体向NiS4平面内部的同侧弯曲而实现的，使得每个NiS2C2环定义的七个原子平均平面与每个芳基取代基的第一个C原子之间的夹角为22.91(8)°。这些二对在bc平面上形成薄片，部分由分子间的2.47 (4)Å的C-H⋯F氢键结合在一起。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Bis[1,2-bis(4-fluorophenyl)ethylene-1,2-dithiolato(1−)]nickel(II)

The title compound crystallizes as closely associated pairs across an inversion center, with near approach enabled by Ni⋯S intermolecular contacts of 3.396 (2) Å and bending of the dithiolene ligands away from one another.

The crystal structure of the title compound, [Ni(C₁₄H₈F₂S₂)₂] (I), reveals averaged S—C [1.708 (2) Å] and C—C_chelate [1.395 (4) Å] bond lengths that are consistent with radical monoanionic ligands paired with a divalent Ni²⁺ ion. Molecules of I associate as dyads via intermolecular Ni⋯S close contacts of 3.396 (2) Å. This close association is enabled by a bending of both dithiolene ligands to the same side and away from the NiS₄ planar interior such that the angle between the seven atom mean planes defined by each NiS₂C₂ ring and the first C atom of each aryl substituent is 22.91 (8)°. These dyads form sheets in the bc plane that are held together in part by intermolecular C—H⋯F hydrogen bonds of 2.47 (4) Å.

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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.