首页> 外文OA文献 >Synthesis and structure of an arylselenenium(II) cation, C34H41N4Se+2Hg(SeCN)42−, based on a 5-tert-butyl-1,3-bis(1-pentyl-1H-benzimidazol-2-yl)benzene scaffold
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Synthesis and structure of an arylselenenium(II) cation, C34H41N4Se+2Hg(SeCN)42−, based on a 5-tert-butyl-1,3-bis(1-pentyl-1H-benzimidazol-2-yl)benzene scaffold

机译:基于5-叔丁基-1,3-BIS(1-戊基-1H-苯并咪唑-2-的合成和结构,C34H41N4SE + 2 Hg(SECN)4 2-芳基硒(II)阳离子,C34H41N4SE + 2- 2- YL)苯脚手架

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摘要

In the title salt, bis{[5-tert-butyl-1,3-bis(1-pentyl-1H-benzimidazol-2-yl)benzene]selenium} tetrakis(selenocyanato)mercury, (C34H41N4Se)2[Hg(SeCN)4], the arylselenenium cations, [C34H41N4Se]+, are linked through [Hg(SeCN)4]2− anions by C—H...N hydrogen bonds. In the cation, the geometry around the Se atom in the 5-tert-butyl-1,3-bis(1-pentyl-1H-benzimidazol-2-yl)benzene scaffold is T-shaped, resulting from the coordination of Se by the C atom of the central aromatic ring and the N atoms of both of the benzimidazole moieties. The trans Se—N bond lengths are almost equal [2.087 (3) and 2.099 (3) Å] and the Se—C bond length is 1.886 (3) Å. The N—Se—N angle is 159.29 (11)°. The geometry around the HgII atom in the [Hg(SeCN)4]2− anion is distorted tetrahedral, with Se—Hg—Se angles ranging from 88.78 (3) to 126.64 (2)°. In [Hg(SeCN)4]2−, the Hg—Se bonds are unsymmetrical [2.5972 (4) and 2.7242 (5) Å]. One of the pentyl substituents is disordered over two equivalent conformations, with occupancies of 0.852 (8) and 0.148 (8).
机译:在标题的盐,双{[5-叔丁基-1,3-二(1-戊基-1H-苯并咪唑-2-基)苯]硒}四(selenocyanato)汞,(C34H41N4Se)2 [Hg(上SECN )4]中,arylselenenium阳离子,[C34H41N4Se] +,是通过[汞柱(SECN)连接的4] 2-的阴离子通过C-H ... N氢键。在阳离子,围绕在5-叔丁基-1,3-二硒原子的几何形状(1-戊基-1H-苯并咪唑-2-基)苯支架是T形的,从硒由协调所得中心芳环的C-原子并且两个苯并咪唑部分中的N原子。反式硒-N键长度几乎等于[2.087(3)和2.099(3)]和SE-C键长为1.886(3)。的N硒-N角为159.29(11)°。围绕在所述HGII原子几何[汞柱(SECN)4] 2-阴离子被扭曲的四面体,具有硒汞硒角度范围从88.78(3)126.64(2)°。在[汞柱(SECN)4] 2-,汞,硒键是不对称[2.5972(4)和2.7242(5)]。其中一个取代基戊基被无序在两个当量的构象,用0.852(8)和0.148(8)占用。

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