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双（μ-4-羟基-2-氧化苯甲醛4-乙硫基缩氨基脲）-κO,N,S:O；κO:O,N,S-双-[氯代锌（II）] 二甲亚砜三水合物

Bis(μ-4-hydr-oxy-2-oxidobenzaldehyde 4-ethyl-thio-semicarbazone)-κO,N,S:O;κO:O,N,S-bis-[chloridozinc(II)] dimethyl sulfoxide tris-olvate.

作者信息

Tan Kong Wai, Ng Chew Hee, Maah Mohd Jamil, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 22;65(Pt 5):m549. doi: 10.1107/S1600536809013385.

DOI:10.1107/S1600536809013385
PMID:21583783
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977597/
Abstract

The two Zn(II) atoms in the title compound, [Zn(2)(C(10)H(12)N(3)O(2)S)(2)Cl(2)]·3C(2)H(6)OS, are each N,O,S-chelated by a mono-deprotonated Schiff base ligand. The Zn atoms are bridged through the phenolate O atom, leading to a central Zn(2)O(2) core. Each Zn atom has a Cl atom in the apical position of a distorted square-pyramidal environment. Hydr-oxy-DMSO (DMSO is dimethyl sulfoxide) O-H⋯O and amide-DMSO N-H⋯O hydrogen bonds link the components of the crystal structure. Two of the DMSO mol-ecules are partially disordered, with each modelled over two sites of equal weight.

摘要

标题化合物[Zn₂(C₁₀H₁₂N₃O₂S)₂Cl₂]·3C₂H₆OS中的两个Zn(II)原子均由一个单去质子化席夫碱配体进行N、O、S螯合。Zn原子通过酚盐O原子桥连，形成一个中心Zn₂O₂核。每个Zn原子在扭曲的四方锥环境的顶端位置有一个Cl原子。羟基-DMSO（DMSO为二甲基亚砜）O—H⋯O和酰胺-DMSO N—H⋯O氢键连接晶体结构的各组分。两个DMSO分子存在部分无序，每个分子在两个权重相等的位置上建模。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ed0/2977597/7b9f6dca6516/e-65-0m549-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ed0/2977597/7b9f6dca6516/e-65-0m549-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5ed0/2977597/7b9f6dca6516/e-65-0m549-fig1.jpg

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本文引用的文献

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2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.