Synthesis of Copper(II) Complex with 1,10-Phenanthroline and Nitrate Anion in the Presence of Mandelic Acid and the Crystalline Structure of This Complex

IF 0.5 4区材料科学 Q4 CRYSTALLOGRAPHY Crystallography Reports Pub Date : 2025-02-16 DOI:10.1134/S1063774524602065

A. E. Toshtemirov, Kh. Kh. Turaev, I. A. Umbarov, N. A. Ermuratova, K. N. Kornilov

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Abstract

The synthesis of a complex compound based on divalent copper as a complexing agent and 1,10-phenanthroline and nitrate ion as ligands has been described for the first time. The obtained complex, being linked with mandelic acid by hydrogen bonds, associates it in the external sphere. The interest in these ligands is caused by their potential biological activity and possibility of using them in pharmaceutics. The composition of the synthesized metal complex is found to be [Cu(1,10-phen)₂NO₃](C₈H₈O₃⋅NO₃), as confirmed by elemental analysis. The molecular and crystal structures of the complex are studied by X-ray diffraction (XRD). Its crystallographic characteristics, bond angles, lattice parameters, and geometry of hydrogen bonds are determined. The data obtained made it possible to construct a 3D model of the material. A Hirshfeld surface analysis of the metal complex, performed using the Crystal Explorer program, showed the presence of hydrogen bonds in it, which stabilize its crystal structure.

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在曼德酸存在下1,10-菲罗啉和硝酸阴离子铜配合物的合成及其晶体结构

本文首次报道了以二价铜为络合剂，1,10-菲罗啉和硝酸根离子为配体的配合物的合成。所得到的配合物通过氢键与扁桃酸相连，使其在外部球体中结合。对这些配体的兴趣是由于它们潜在的生物活性和在制药中应用的可能性。经元素分析证实，所合成的金属配合物为[Cu(1,10-phen)2NO3]（C8H8O3⋅NO3）。用x射线衍射（XRD）研究了配合物的分子结构和晶体结构。测定了它的晶体学特性、键角、晶格参数和氢键的几何形状。获得的数据使构建材料的三维模型成为可能。利用Crystal Explorer程序对金属配合物进行的Hirshfeld表面分析显示，其中存在氢键，从而稳定了其晶体结构。

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来源期刊

Crystallography Reports 化学-晶体学

CiteScore

1.10

自引率

28.60%

发文量

审稿时长

4-8 weeks

期刊介绍： Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.