Bis[1,2-bis-(3,5-di-methyl-phen-yl)ethyl-ene-1,2-di-thiol-ato(1-)]nickel(II).

IF 0.5 Q4 CRYSTALLOGRAPHY
Titir Das Gupta, Jackson Guite, LiWen Hirt, Xiaodong Zhang, James P Donahue
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引用次数: 0

Abstract

The title compound, [Ni(C18H18S2)2], 1, crystallizes upon an inversion center in monoclinic P21/c with intra-ligand C-S and C-Cchelate bond lengths that are indicative of the radical monoanionic redox level for the di-thiol-ene ligand. The arene rings are canted at angles of 43.54 (4) and 71.36 (3)° with respect to the NiS4 plane. Mol-ecules of 1 form columnar stacks along the a axis of the cell with a ∼59° angle between the mol-ecular plane and the stacking axis. Adjacent stacks alternate in the directionality of their cant relative to the stacking axis such that a 37.2° angle is defined by the core NiS4 planes of mol-ecules from adjoining columns. Inter-molecular inter-actions are governed by methyl C-H→πarene hydrogen bonds, with each mol-ecule enjoying four such inter-actions as acceptor and providing four such inter-actions as donor.

国际清算银行[1,以(3 5-di-methyl-phen-yl) ethyl-ene-1 2-di-thiol-ato(1 -)镍(II)。
标题化合物[Ni(C18H18S2)2], 1在单斜P21/c倒置中心结晶,配体内的c - s和c -螯合键长度表示二巯基配体的自由基单阴离子氧化还原水平。芳烃环相对于NiS4平面的倾角分别为43.54(4)°和71.36(3)°。1的分子沿着细胞的a轴形成柱状堆叠,分子平面与堆叠轴之间呈~ 59°角。相邻的层叠在相对于层叠轴的方向上交替,使得来自相邻柱的分子的核心NiS4平面定义了37.2°的角度。分子间的相互作用是由甲基C-H→π芳烃氢键控制的,每个分子作为受体有4个相互作用,作为供体提供4个相互作用。
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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来源期刊
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.
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