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一种锌与3,5-二硝基苯甲酸和乙二胺配合物的正交晶型多晶型物的晶体结构和 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of the ortho-rhom-bic polymorph of a Zn complex with 3,5-di-nitro-benzoic acid and ethyl-enedi-amine.

作者信息

Ibragimov Avazbek, Ashurov Jamshid, Dusmatov Aziz, Ibragimov Aziz

机构信息

Institute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, M. Ulugbek Str., 83, Tashkent, 700125, Uzbekistan.

Agency on Development of the Pharmaceutical Industry, Ch. Aytmatov Str., 1a, Tashkent, 10008, Uzbekistan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Jun 19;76(Pt 7):1113-1116. doi: 10.1107/S2056989020007938. eCollection 2020 Jul 1.

DOI:10.1107/S2056989020007938
PMID:32695462
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7336800/
Abstract

During systematic investigations of the biological action enhancement of well known compounds, a new metal complex, namely, bis-(3,5-di-nitro-benzoato)(ethane-1,2-di-amine)zinc(II), [Zn(CHNO)(CHN)], was synthesized and the structure of its ortho-rhom-bic form has determined. The synthesis and crystal structure of the monoclinic polymorph has previously been reported [Ibragimov (2020 ▸). , 45-50]. The zinc ion has a distorted tetra--hedral environment formed by two monodentate 3,5-di-nitro-benzoato anions and chelating ethyl-enedi-amine mol-ecule. In the crystal, the complex mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds into a two-dimensional network parallel to the plane. The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯O/O⋯H (43.4%) and O⋯C/C⋯O (17.7%) inter-actions.

摘要

在对知名化合物的生物活性增强进行系统研究期间,合成了一种新的金属配合物,即双(3,5 - 二硝基苯甲酸根)(乙烷 - 1,2 - 二胺)锌(II),[Zn(CHNO)(CHN)],并确定了其正交晶型的结构。单斜晶型多晶型物的合成和晶体结构此前已有报道[伊布拉吉莫夫(2020 ▸)。,45 - 50]。锌离子具有由两个单齿3,5 - 二硝基苯甲酸根阴离子和螯合乙二胺分子形成的扭曲四面体环境。在晶体中,配合物分子通过N - H⋯O和C - H⋯O氢键连接成平行于平面的二维网络。 Hirshfeld表面分析表明,对晶体堆积最重要的贡献来自H⋯O/O⋯H(43.4%)和O⋯C/C⋯O(17.7%)相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/03d8/7336800/06ce27af0d82/e-76-01113-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/03d8/7336800/aaf3ed63c994/e-76-01113-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/03d8/7336800/1fdac31fe4b1/e-76-01113-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/03d8/7336800/812de776a1b7/e-76-01113-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/03d8/7336800/06ce27af0d82/e-76-01113-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/03d8/7336800/aaf3ed63c994/e-76-01113-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/03d8/7336800/1fdac31fe4b1/e-76-01113-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/03d8/7336800/812de776a1b7/e-76-01113-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/03d8/7336800/06ce27af0d82/e-76-01113-fig4.jpg

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