Journal of Chemical Crystallography ( IF 0.4 ) Pub Date : 2021-09-28 , DOI: 10.1007/s10870-021-00906-0 Yurii I. Slyvka 1 , Nazariy T. Pokhodylo 1 , Marian G. Mys’kiv 1 , Evgeny А. Goreshnik 2
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Abstract
This work is directed toward the synthesis and structure characterization of the two novel copper(I) sulfamate π,σ-complexes [Cu2(Thiaz2)2(NH2SO3)2] (1) and [Cu2(Thiaz3)(NH2SO3)2]·2H2O (2) based on 2-amino-5-allylthio-1,3,4-thiadiazole (Thiaz2) and N2,N5-di(allyl)-1,3,4-thiadiazole-2,5-diamine (Thiaz3) ligands. Structural analysis of 1 was performed in comparison with the earlier-studied, similar complex [Cu2(Thiaz1)2(NH2SO3)2] (3) (Thiaz1-2-allylamino-5-methyl-1,3,4-thiadiazole). In the structures of 1–3, the respective organic molecule fully realizes its coordination ability being attached to the metal centres through two nitrogen atoms of 1,3,4-thiadiazole core as well as by one η2-allyl groups in 1 and 3 or by two η2-allyl groups in 2. In crystal structures of 1 & 2, [Cu2(Thiaz)2(NH2SO3)2] dimers are interconnected by N–H⋯O hydrogen bonds into layers, while water molecules in 2 connect NH2SO3− anions into hydrogen-bonded ribbon which together with N–H⋯O bonds of Thiaz3 amino-groups stitch organometallic fragments into a framework. To depict H-bonded interaction in the structures 1–3 Hirshfeld surface analysis has been performed.
Graphic Abstract
The synthesis and X-ray structures of Cu(NH2SO3) π,σ-complexes based on allyl-substituted 1,3,4-thiadiazole ligands are presented and weak interactions are specially discussed.
中文翻译：
Cu(NH2SO3) π-配合物与 1,3,4-噻二唑的烯丙基衍生物：通过弱相互作用的合成和结构形成
摘要
这项工作旨在合成和结构表征两种新型氨基磺酸铜 (I) π,σ-配合物 [Cu 2 (Thiaz2) 2 (NH 2 SO 3 ) 2 ] ( 1 ) 和 [Cu 2 (Thiaz3)( NH 2 SO 3 ) 2 ]·2H 2 O ( 2 ) 基于 2-amino-5-allylthio-1,3,4-thiadiazole (Thiaz2) 和N 2 , N 5 -di(allyl)-1,3, 4-噻二唑-2,5-二胺（Thiaz3）配体。1 的结构分析与早期研究的类似复合物 [Cu 2(Thiaz1) 2 (NH 2 SO 3 ) 2 ] ( 3 ) (Thiaz1-2-allylamino-5-methyl-1,3,4-thiadiazole)。在的结构1 - 3，相应的有机分子完全实现其协调能力正在通过1,3,4-噻二唑核心的两个氮原子以及一个连接到金属中心的η 2 -烯丙基基团在1和3或由两个η 2在-烯丙基基团2。在1 & 2 的晶体结构中，[Cu 2 (Thiaz) 2 (NH 2SO 3 ) 2 ] 二聚体通过 N–H⋯O 氢键相互连接成层，而2 中的水分子将 NH 2 SO 3 −阴离子连接成氢键带，与 Thiaz3 氨基的 N–H⋯O 键一起将有机金属碎片缝合成框架。为了描述结构1 – 3 中的氢键相互作用，已经进行了 Hirshfeld 表面分析。
图形摘要
介绍了基于烯丙基取代的 1,3,4-噻二唑配体的 Cu(NH 2 SO 3 ) π,σ-配合物的合成和 X 射线结构，并特别讨论了弱相互作用。
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