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[2,9-双(3,5-二甲基-1H-吡唑-1-基-κN)-1,10-菲咯啉-κN,N']双(硫氰酸根-κN)镉(II)

[2,9-Bis(3,5-dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N']bis-(thio-cyanato-κN)cadmium(II).

作者信息

Zheng Lu Yi, Chi Yan Hui

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 11;67(Pt 1):m68. doi: 10.1107/S1600536810051275.

DOI:10.1107/S1600536810051275
PMID:21522586
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3050342/
Abstract

In the title complex, [Cd(NCS)(2)(C(22)H(20)N(6))], the Cd(II) ion is in a CdN(6) coordination geometry which is inter-mediate between octa-hedral and trigonal-prismatic. The dihedral angles formed between the mean planes of the pyrazole rings and the phenanthroline system are 15.74 (15) and 16.30 (13)°. In the crystal, there is a π-π stacking inter-action involving two symmetry-related pyrazole rings, with a centroid-centroid distance of 3.664 (3) Å. In addition, there is a relatively short inter-molecular contact between C atoms [C⋯C = 3.399 (6) Å] involving symmetry-related pyridine rings along the a axis.

摘要

在标题配合物[Cd(NCS)₂(C₂₂H₂₀N₆)]中，Cd(II)离子处于CdN₆配位几何构型，介于八面体和三角棱柱体之间。吡唑环的平均平面与菲咯啉体系之间形成的二面角为15.74 (15)°和16.30 (13)°。在晶体中，存在涉及两个对称相关吡唑环的π-π堆积相互作用，质心间距为3.664 (3) Å。此外，沿着a轴存在涉及对称相关吡啶环的C原子间相对较短的分子间接触[C⋯C = 3.399 (6) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/47e4/3050342/8f62998a2d21/e-67-00m68-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/47e4/3050342/c96ca966877a/e-67-00m68-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/47e4/3050342/8f62998a2d21/e-67-00m68-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/47e4/3050342/c96ca966877a/e-67-00m68-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/47e4/3050342/8f62998a2d21/e-67-00m68-fig2.jpg

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