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二溴化[(μ-L1)二溴二铜(II)]和聚[[(μ-L1)二碘二铜(I)]-二μ-碘二铜(I)]的晶体结构,其中L1为2,5,8,11,14,17-六硫杂-[9.9](2,6,3,5)-吡嗪环番。

Crystal structures of [(μ-L1)di-bromidodicopper(II)] dibromide and poly[[(μ-L1)diiodido-dicopper(I)]-di-μ-iodido-dicopper(I)], where L1 is 2,5,8,11,14,17-hexa-thia-[9.9](2,6,3,5)-pyrazino-phane.

作者信息

Assoumatine Tokouré, Stoeckli-Evans Helen

机构信息

Institute of Chemistry, University of Neuchâtel, Av. de Bellevax 51, CH-2000 Neuchâtel, Switzerland.

Institute of Physics, University of Neuchâtel, rue Emile-Argand 11, CH-2000 Neuchâtel, Switzerland.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Jun 2;76(Pt 7):984-989. doi: 10.1107/S2056989020007161. eCollection 2020 Jul 1.

Abstract

The reaction of the hexa-thia-pyrazino-phane ligand, 2,5,8,11,14,17-hexa-thia-9.9-pyrazino-phane (), with copper(II) dibromide led to the formation of a binuclear complex, [μ-2,5,8,11,14,17-hexa-thia-9.9-pyrazino-phane]bis-[bromi-docopper(II)] dibromide, [CuBr(CHNS)]Br, (). The complex possesses inversion symmetry with the pyrazine ring being situated about a center of symmetry. The ligand coordinates to the copper(II) atom in a bis-tetra-dentate manner and the copper atom has a fivefold NSBr coordination environment with a distorted shape. The reaction of ligand with copper(I) iodide also gave a binuclear complex, which is bridged by a CuI unit to form a two-dimensional coordination polymer, poly[[μ-2,5,8,11,14,17-hexa-thia-9.9-pyrazino-phane]tetra-μ-iodido-tetra-copper(I)], [CuI(CHNS)] , (). The binuclear unit possesses inversion symmetry with the pyrazine ring being located about a center of symmetry. The CuI unit is also located about an inversion center. The two independent copper(I) atoms are both fourfold coordinate. That coordinating to the ligand in a bis-tridentate manner has an NSI coordination environment and an irregular shape, while the second copper(I) atom, where coordinates in a bis-monodentate manner, has an SI coordination environment with an almost perfect tetra-hedral geometry. In the crystal of , the cations and Br anions are linked by a number of C-H⋯S and C-H⋯Br hydrogen bonds, forming a supra-molecular network. In the crystal of , the two-dimensional coordination polymers lie parallel to the plane and there are no significant inter-layer contacts present.

摘要

六硫代吡嗪并环配体2,5,8,11,14,17-六硫代-9.9-吡嗪并环()与二溴化铜反应生成了双核配合物二溴化[μ-2,5,8,11,14,17-六硫代-9.9-吡嗪并环]双[溴化铜(II)],[CuBr(CHNS)]Br,()。该配合物具有反演对称性,吡嗪环位于对称中心周围。配体以双四齿方式与铜(II)原子配位,铜原子具有扭曲形状的五重NSBr配位环境。配体与碘化亚铜的反应也生成了一个双核配合物,它由一个CuI单元桥连形成二维配位聚合物,聚[[μ-2,5,8,11,14,17-六硫代-9.9-吡嗪并环]四-μ-碘代-四铜(I)],[CuI(CHNS)] ,()。双核单元具有反演对称性,吡嗪环位于对称中心周围。CuI单元也位于一个反演中心周围。两个独立的铜(I)原子均为四重配位。以双三齿方式与配体配位的那个铜(I)原子具有NSI配位环境且形状不规则,而第二个以双单齿方式配位的铜(I)原子具有几乎完美四面体几何形状的SI配位环境。在的晶体中,阳离子和Br阴离子通过许多C-H⋯S和C-H⋯Br氢键相连,形成一个超分子网络。在的晶体中,二维配位聚合物与平面平行,且不存在显著的层间接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/60ae/7336783/4e26f73f33a2/e-76-00984-fig1.jpg

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