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具有3-烯丙基-2-硫代乙内酰脲的铜(I)芳基磺酸盐π配合物:弱相互作用在结构组织中的作用

Cu(I) Arylsulfonate π-Complexes with 3-Allyl-2-thiohydantoin: The Role of the Weak Interactions in Structural Organization.

作者信息

Fedorchuk Andrii, Goreshnik Evgeny, Slyvka Yurii, Mysâ Kiv Marian

出版信息

Acta Chim Slov. 2020 Dec;67(4):1148-1154.

PMID:33533454
Abstract

The present work is directed toward preparation and structural characterization of two novel Cu(I) arylsulfonate ?-complexes with 3-allyl-2-thiohydantoin, namely Cu2(Hath)42 (1) and Cu2(Hath)42·2H2O (2) (Hath = 3-allyl-2-thiohydantoin), obtained by the means of alternating current electrochemical synthesis and studied with X-ray diffraction method. In both structures, the inner coordination sphere is represented by the cationic dimer [Cu2(Hath)4]2+ with one crystallographically independent copper(I) atom which has a trigonal pyramidal coordination environment formed by three Hath thiogroup S atoms and double C=C bond of its allyl group. [Cu2(Hath)4]2+ fragments in both coordination compounds are very similar, despite some divergences such as a big difference in Cu?S distance to the apical S atom (3.0374(8) ? in 1 and 2.7205(9) ? in 2). This difference was explained by the impact of the system of weak interactions, which are quite different.

摘要

本工作旨在通过交流电电化学合成法制备并对两种新型的3-烯丙基-2-硫代乙内酰脲的芳基磺酸亚铜(I)配合物,即Cu2(Hath)42 (1)和Cu2(Hath)42·2H2O (2)(Hath = 3-烯丙基-2-硫代乙内酰脲)进行结构表征,并采用X射线衍射法进行研究。在这两种结构中,内配位球由阳离子二聚体[Cu2(Hath)4]2+表示,其中有一个晶体学独立的铜(I)原子,其具有由三个Hath硫基团S原子及其烯丙基的碳碳双键形成的三角锥配位环境。尽管存在一些差异,如与顶端S原子的Cu-S距离差异较大(1中为3.0374(8) Å,2中为2.7205(9) Å),但两种配位化合物中的[Cu2(Hath)4]2+片段非常相似。这种差异是由弱相互作用体系的影响所解释的,而这些弱相互作用体系差异很大。

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