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首页> 外文期刊>Crystal growth & design >The Crystal Structure of Zineb, Seventy-Five Years Later
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The Crystal Structure of Zineb, Seventy-Five Years Later

机译：七十五年后Zineb的晶体结构

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摘要

Ethylene bis(dithiocarbamates) (EBDTCs) have been used as staple fungicides for over 75 years. The first industrially manufactured EBDTC was zineb, zinc ethylene bis(dithiocarbamate), marketed under the trade name Dithane. Even though zineb has been used as a fungicide since the 1940s, its crystal structure has remained unknown. Herein, we describe the crystal structure of zineb (triclinic crystal system, space group P (1) over bar, a = 7.5094(9) angstrom, b = 9.4356(9) angstrom, c = 7.4120(7) angstrom, alpha = 107.945(8)degrees, beta = 100.989(7)degrees, gamma = 105.365(8)degrees, V = 460.07(10) angstrom(3)). The inorganic fragment of the structure consists of two Zn2+ cations, coordinated by the thiocarbamate groups. There are four Zn-S bonds with lengths in the range of 2.325-2.426 angstrom, and one rather long Zn-S contact of 2.925(8) angstrom. Inorganic fragments are linked by organic EBDTC ligands to form extended, polymeric layers. The layers are packed in an ABAB manner, related by the inversion symmetry and held together by a hydrogen bonding network. In this article, in addition to describing the crystal structure, we correlate the structural features with the vibrational spectroscopic and thermal characteristics of zineb, and we provide a short summary of the major developments of fungicides in the 20th century.
机译：乙烯双（二硫代氨基酯）（EBDTCS）已被用作术术杀菌剂超过75岁。第一次工业制造的EBDTC是Zineb，乙烯双（二硫代氨基甲酸酯），在商品名Dithane销售。尽管自20世纪40年代以来ZineB被用作杀真菌剂，但其晶体结构仍然未知。在此，我们描述了ZineB的晶体结构（三星晶体系统，空间组P（1）上方的Z，a = 7.5094（9）埃，B = 9.4356（9）埃，C = 7.4120（7）埃，α= 107.945 （8）度，β= 100.989（7）度，γ= 105.365（8）度，v = 460.07（10）埃（3））。结构的无机片段由两个Zn2 +阳离子组成，由硫代氨基甲酸酯基团协调。有四个Zn-S粘合，长度在2.325-2.426埃的范围内，2.925（8）埃的一个相当长的Zn-S接触。无机片段通过有机EBDTC配体连接以形成延伸的聚合物层。这些层以ABAB方式包装，由反转对称相关，并通过氢键网络保持在一起。在本文中，除了描述晶体结构之外，我们还将结构特征与ZineB的振动光谱和热特性相关联，我们提供了20世纪杀菌剂的主要发展的简短概要。

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