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双(3,5-二硝基苯甲酸根-κ)双(乙二胺-κ,')镉(II)

Bis(3,5-di-nitro-benzoato-κ)bis-(ethane-1,2-di-amine-κ ,')cadmium(II).

作者信息

Ibragimov Avazbek

机构信息

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

出版信息

IUCrdata. 2020 Jul 3;5(Pt 7):x200843. doi: 10.1107/S2414314620008433. eCollection 2020 Jul.

Abstract

During systematic investigations of bioavailability and biological action enhancement of well known compounds with low bioactivity, a new mixed-ligand metal complex, [Cd(DNBA)(en))] (DNBA = 3,5-di-nitro-benzoate, CHNO; en = ethyl-endi-amine, CHN), has been synthesized. The complex mol-ecules are located on inversion centers. Two DNBA anions monodentately coordinate the Cd atom through an oxygen atom of the carboxyl-ate group while two en mol-ecules coordinate in a chelate fashion, resulting in a distorted ON coordination set. There is a weak intra-molecular hydrogen bond of 3.099 (4) Å between the non-coordinating oxygen atom of the carboxyl-ate group and one of the en amine groups. Three relatively weak inter-molecular N-H⋯O hydrogen bonds associate complex mol-ecules into sheets extending parallel to (01), which are further stabilized by - inter-actions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯O/O⋯H (50.2%) and H⋯H (21.1%) inter-actions.

摘要

在对具有低生物活性的知名化合物的生物利用度和生物活性增强进行系统研究的过程中,合成了一种新的混合配体金属配合物[Cd(DNBA)(en)](DNBA = 3,5 - 二硝基苯甲酸盐,C₇H₄NO₆;en = 乙二胺,C₂H₈N₂)。配合物分子位于对称中心上。两个DNBA阴离子通过羧酸根基团的一个氧原子单齿配位镉原子,而两个en分子以螯合方式配位,形成扭曲的ON配位构型。羧酸根基团的非配位氧原子与一个en胺基之间存在3.099 (4) Å的弱分子内氢键。三个相对较弱的分子间N - H⋯O氢键将配合物分子缔合形成平行于(01)伸展的片层,这些片层通过 - 相互作用进一步稳定。晶体结构的 Hirshfeld 表面分析表明,对晶体堆积最重要的贡献来自H⋯O/O⋯H(50.2%)和H⋯H(21.1%)相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4195/9462251/01293f16ff9e/x-05-x200843-fig1.jpg

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