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{2,6-双[(2,4,5-三氟苯基)亚氨基甲基]吡啶-κN,N',N''}二氯合镍(II)的第二种单斜多晶型物

A second monoclinic polymorph of {2,6-bis[(2,4,5-trifluoro-phen-yl)imino-meth-yl]pyridine-κN,N',N''}dichloridonickel(II).

作者信息

Baldovino-Pantaleón Oscar, Hernández-Ortega Simón, Reyes-Martínez Reyna, Morales-Morales David

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):m134. doi: 10.1107/S1600536811055577. Epub 2012 Jan 11.

DOI:10.1107/S1600536811055577
PMID:22346818
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3274871/
Abstract

The asymmetric unit of the title compound, [NiCl(2)(C(19)H(9)F(6)N(3))], contains one half-mol-ecule residing on a crystallographic twofold rotation axis. The title compound crystallizes in space group C2/c while the previously reported polymorph was reported in P2(1)/c [Baldovino-Pantaleón et al. (2006 ▶). Adv. Synth. Catal.348, 236-242]. The Ni(2+) ion exhibits a penta-coordinate distorted trigonal-bipyramidal NiCl(2)N(3) geometry, with two Cl atoms in the equatorial plane. In the crystal, mol-ecules are linked by inter-molecular C-F⋯π [F⋯centroid = 2.9676 (14) Å] inter-actions.

摘要

标题化合物[NiCl₂(C₁₉H₉F₆N₃)]的不对称单元包含位于晶体学二重旋转轴上的半个分子。标题化合物结晶于空间群C2/c，而之前报道的多晶型物报道在P2(1)/c [Baldovino-Pantaleón等人（2006年▶）。《高级合成与催化》348, 236 - 242]。Ni²⁺离子呈现五配位扭曲三角双锥NiCl₂N₃几何构型，两个Cl原子在赤道平面。在晶体中，分子通过分子间C-F⋯π [F⋯质心 = 2.9676 (14) Å]相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7dd9/3274871/db0625acd95f/e-68-0m134-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7dd9/3274871/db0625acd95f/e-68-0m134-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7dd9/3274871/db0625acd95f/e-68-0m134-fig1.jpg

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