醋酸铜（II）与 1,10-菲罗啉和 2,2'- 联吡啶配合物中的配位结构和分子间相互作用。

IF 0.7 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Acta Crystallographica Section C Structural Chemistry Pub Date : 2024-09-01 Epub Date: 2024-08-23 DOI:10.1107/S2053229624007617

Samuel P Guimaraes, Leonardo H R Dos Santos, Bernardo L Rodrigues

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引用次数: 0

摘要

两种配位化合物--(acetato-κO)(2,2'-联吡啶-κ2N,N')(1,10-菲罗啉-κ2N、N')copper(II) acetate hexahydrate, [Cu(C2H3O2)(C10H8N2)(C12H8N2)](C2H3O2)-6H2O or [Cu(bipy)(phen)Ac]Ac-6H2O, and (acetato-κO)bis(2,2'-bipyridine-κ2N、N')铜(II)-醋酸-水（1/1/3）、[Cu(C2H3O2)(C10H8N2)2](C2H3O2)-C2H4O2-3H2O 或 [Cu(bipy)2Ac]Ac-HAc-3H2O、或 [Cu(bipy)2Ac]Ac-HAc-3H2O，并将其与之前公布的 [Cu(phen)2Ac]Ac-7H2O 结构进行了比较（phen 表示 1,10-菲罗啉，bipy 表示 2,2'-联吡啶，ac 表示醋酸，Hac 表示醋酸）。在所有三种情况下，金属中心周围的几何形状都是五配位，但都高度畸变。对配位数和几何畸变都进行了详细讨论，所有配合物都属于 P\overline{1} 空间群。通过对几何参数以及 Hirshfeld 表面性质 dnorm 和弯曲度的分析，可以了解这些配合物中金属与配体之间的相互作用，并可与类似体系进行比较。

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Coordination structure and intermolecular interactions in copper(II) acetate complexes with 1,10-phenanthroline and 2,2'-bipyridine.

The crystal structures of two coordination compounds, (acetato-κO)(2,2'-bipyridine-κ²N,N')(1,10-phenanthroline-κ²N,N')copper(II) acetate hexahydrate, [Cu(C₂H₃O₂)(C₁₀H₈N₂)(C₁₂H₈N₂)](C₂H₃O₂)·6H₂O or [Cu(bipy)(phen)Ac]Ac·6H₂O, and (acetato-κO)bis(2,2'-bipyridine-κ²N,N')copper(II) acetate-acetic acid-water (1/1/3), [Cu(C₂H₃O₂)(C₁₀H₈N₂)₂](C₂H₃O₂)·C₂H₄O₂·3H₂O or [Cu(bipy)₂Ac]Ac·HAc·3H₂O, are reported and compared with the previously published structure of [Cu(phen)₂Ac]Ac·7H₂O (phen is 1,10-phenanthroline, bipy for 2,2'-bipyridine, ac is acetate and Hac is acetic acid). The geometry around the metal centre is pentacoordinated, but highly distorted in all three cases. The coordination number and the geometric distortion are both discussed in detail, and all complexes belong to the space group P-1. The analysis of the geometric parameters and the Hirshfeld surface properties d_norm and curvedness provide information about the metal-ligand interactions in these complexes and allow comparison with similar systems.

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来源期刊

Acta Crystallographica Section C Structural Chemistry CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

1.60

自引率

12.50%

发文量

148

期刊介绍： Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.