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Synthesis, сrystal structure and Hirshfeld surface analysis of tetra­(2,4-dichlorophenoxyacetate)­cadmium(II) ethylendiammine 0.6H20
Chemical Data Collections Pub Date : 2021-05-01 , DOI: 10.1016/j.cdc.2021.100712
Bekmurod Kh. Alimnazarov , Jamshid M. Ashurov , Aziz B. Ibragimov , Islombek J. Mengnorov , Vahobjon Kh. Sabirov , Bakhtiyar T. Ibragimov

In this paper, the crystal structure of tetra­(2,4-dichlorophenoxyacetate)­cadmium(II) ethylendiammine monohydrate, Cd(2,4-D)4 en•0•.6H2O (where 2,4-D is 2,4-dichlorophenoxyacetate anion, en – ethylendiamine) was discussed. The structure of the title compound was determined by the single-crystal X-ray diffraction method. The Cd atom and H2en2+ dication lie at the crystallographic symmetry axis 2. Disordered water molecule with occupation 0.6 is in the general position. The Cd atom is coordinated on the highly distorted octahedron by two bidentatly and two monodentatly coordinated 2,4-D anions. The H2en2+ cation and the water molecule are out of the coordination sphere. The H2en2+ cation stabilized in the anti-conformation. Hirschfeld surface analysis indicates that the most significant contacts in packing are H•••Cl/Cl•••H (42.1%) followed by H•••O/O•••H ones (20.3%).



中文翻译:

四(2,4-二氯苯氧基乙酸)镉(II)乙二胺0.6H 2 0的合成、晶体结构和Hirshfeld表面分析

在本文中,四(2,4-二氯苯氧基乙酸)镉(II)乙二胺一水合物Cd(2,4-D) 4 en•0•.6H 2 O(其中2,4-D为2, 4-二氯苯氧基乙酸根阴离子,烯-乙二胺)进行了讨论。标题化合物的结构由单晶X射线衍射法确定。Cd 原子和H 2 en 2+双阳离子位于晶体对称轴2。占据0.6 的无序水分子处于一般位置。Cd 原子通过两个双齿和两个单齿配位的 2,4-D 阴离子配位在高度扭曲的八面体上。H 2 en 2+阳离子和水分子不在配位范围内。H2 en 2+阳离子在反构象中稳定。Hirschfeld 表面分析表明,填料中最重要的接触是 H•••Cl/Cl•••H (42.1%),其次是 H•••O/O•••H (20.3%)。

更新日期:2021-06-02
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