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反式-{1,8-双[(R)-α-甲基苄基]-1,3,6,8,10,13-六氮杂环十四烷}二硫氰酸根合镍(II)

trans-{1,8-Bis[(R)-α-methyl-benz-yl]-1,3,6,8,10,13-hexa-azacyclo-tetra-deca-ne}dithio-cyanato-nickel(II).

作者信息

Shin Jong Won, Min Kil Sik

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 28;65(Pt 2):m234. doi: 10.1107/S1600536809002700.

DOI:10.1107/S1600536809002700
PMID:21581824
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968297/
Abstract

The title compound, [Ni(NCS)(2)(C(24)H(38)N(6))], is a thio-cyanate-coordinated aza-macrocyclic nickel(II) complex. There are two independent mol-ecules in the asymmetric unit and their bond lengths and angles are similar. Both Ni atoms have a tetra-gonally distorted octa-hedral geometry, in which the Ni(II) ion is coordinated by the four secondary N atoms of the aza-macrocyclic ligand and by two N atoms of the thio-cyanate ions. The average equatorial Ni-N bond lengths are shorter than the average axial Ni-N bond lengths [2.071 (1) and 2.115 (2) Å, respectively]. N-H⋯S hydrogen-bonding inter-actions between a secondary amine N atom and the adjacent thio-cyanate ion leads to a polymeric chain along [100].

摘要

标题化合物[Ni(NCS)₂(C₂₄H₃₈N₆)]是一种硫氰酸根配位的氮杂大环镍(II)配合物。不对称单元中有两个独立的分子，它们的键长和键角相似。两个Ni原子均具有四方畸变的八面体几何构型，其中Ni(II)离子由氮杂大环配体的四个仲氮原子和硫氰酸根离子的两个氮原子配位。赤道面的平均Ni-N键长比轴向的平均Ni-N键长短[分别为2.071 (1) Å和2.115 (2) Å]。仲胺N原子与相邻硫氰酸根离子之间的N-H⋯S氢键相互作用导致沿着[100]方向形成聚合物链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c442/2968297/b760d2c03861/e-65-0m234-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c442/2968297/31de44b4e4ee/e-65-0m234-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c442/2968297/b760d2c03861/e-65-0m234-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c442/2968297/31de44b4e4ee/e-65-0m234-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c442/2968297/b760d2c03861/e-65-0m234-fig2.jpg

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