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双[1,2-双-(4-氟苯基)乙烯-1,2-二硫醇合(1-)]镍(II)

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

作者信息

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

机构信息

Saint Paul's Catholic School, 917 South Jahncke Avenue, Covington, LA 70433, USA.

Department of Chemistry, Tulane University, 6400 Freret Street, New Orleans, Louisiana 70118-5698, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 Aug 27;81(Pt 9):874-878. doi: 10.1107/S2056989025007303. eCollection 2025 Sep 1.

Abstract

The crystal structure of the title compound, [Ni(CHFS)] (), reveals averaged S-C [1.708 (2) Å] and C-C [1.395 (4) Å] bond lengths that are consistent with radical monoanionic ligands paired with a divalent Ni ion. Mol-ecules of associate as dyads inter-molecular Ni⋯S close contacts of 3.396 (2) Å. This close association is enabled by a bending of both di-thiol-ene ligands to the same side and away from the NiS planar inter-ior such that the angle between the seven atom mean planes defined by each NiSC ring and the first C atom of each aryl substituent is 22.91 (8)°. These dyads form sheets in the plane that are held together in part by inter-molecular C-H⋯F hydrogen bonds of 2.47 (4) Å.

摘要

标题化合物[Ni(CHFS)]()的晶体结构显示,平均S-C键长为[1.708 (2) Å],C-C键长为[1.395 (4) Å],这与与二价镍离子配对的自由基单阴离子配体一致。分子以二元体形式缔合,分子间Ni⋯S的近距离接触为3.396 (2) Å。这种紧密缔合是通过两个二硫代烯配体向同一侧弯曲并远离NiS平面内部实现的,使得由每个NiSC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)°。这些二元体在平面内形成片层,部分通过2.47 (4) Å的分子间C-H⋯F氢键结合在一起。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/68dd/12412703/5591327041e2/e-81-00874-fig1.jpg

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