（2-氨基-1-甲基- 1h -苯并咪唑-κ n3）铜的合成、晶体结构及Hirshfeld表面分析。

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI:10.1107/S2056989024011538

Kyzlarkhan Siddikova , Daminbek Ziyatov , Akmaljon Tojiboev , Jamshid Ashurov , Zukhra Kadirova , Shahlo Daminova

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引用次数: 0

摘要

标题化合物[Cu(C5H7O2)2(C8H9N3)]在邻菱形空间群Pnma中结晶。在晶体结构上，CuII离子由两个乙酰丙酮配体和一个2-氨基-1-甲基- 1h -苯并咪唑配体配位。晶体结构具有分子内N-H⋯O和分子间N-H⋯O氢键，这有助于晶体的整体凝聚力。利用Hirshfeld表面分析和二维指纹图谱来量化分子间相互作用，揭示H⋯H（61.1%）、H⋯C/C⋯H（21.3%）和O⋯H/H⋯O（11.3%）接触对晶体填充的相对贡献。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Synthesis, crystal structure and Hirshfeld surface analysis of bis(acetylacetonato-κ2O,O′)(2-amino-1-methyl-1H-benzimidazole-κN3)copper(II)

A compound of composition [Cu(C₅H₇O₂)₂(C₈H₉N₃)] was obtained. In the crystal, the Cu^II ion exhibits a square-pyramidal geometry with the ligands (two acetylacetone and one 2-amino-1-methylbenzimidazole). Hirshfeld surface analysis was used to investigate the intermolecular interactions.

The title compound, [Cu(C₅H₇O₂)₂(C₈H₉N₃)], crystallizes in the orthorhombic space group Pnma. In the crystal structure, the Cu^II ion is coordinated by two acetylacetonate ligands and one 2-amino-1-methyl-1H-benzimidazole ligand. The crystal structure features intramolecular N—H⋯O and intermolecular N—H⋯O hydrogen bonds, which contribute to the overall cohesion of the crystal. Hirshfeld surface analysis and two-dimensional fingerprint plots were utilized to quantify the intermolecular interactions, revealing the relative contributions of H⋯H (61.1%), H⋯C/C⋯H (21.3%), and O⋯H/H⋯O (11.3%) contacts to the crystal packing.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.