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双(乙酰丙酮根-κ²,O,O')(2-氨基-1-甲基-1-苯并咪唑-κ¹,N)铜(II)的合成、晶体结构及 Hirshfeld 表面分析

Synthesis, crystal structure and Hirshfeld surface analysis of bis-(acetyl-acetonato-κ ,')(2-amino-1-methyl-1-benzimidazole-κ )copper(II).

作者信息

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

机构信息

Karshi Engineering Economics Institute, Mustakillik Avenue 225, Karshi 180100, Uzbekistan.

National University of Uzbekistan named after Mirzo Ulugbek University Street 4 Tashkent 100174 Uzbekistan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 Jan 1;81(Pt 1):1-5. doi: 10.1107/S2056989024011538.

Abstract

The title compound, [Cu(CHO)(CHN)], crystallizes in the ortho-rhom-bic space group . In the crystal structure, the Cu ion is coordinated by two acetyl-acetonate ligands and one 2-amino-1-methyl-1-benzimidazole ligand. The crystal structure features intra-molecular N-H⋯O and inter-molecular 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 qu-antify the inter-molecular inter-actions, 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.

摘要

标题化合物[Cu(CHO)(CHN)]以正交晶系空间群结晶。在晶体结构中,铜离子由两个乙酰丙酮配体和一个2-氨基-1-甲基-1-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。利用 Hirshfeld 表面分析和二维指纹图谱来量化分子间相互作用,揭示了H⋯H(61.1%)、H⋯C/C⋯H(21.3%)和O⋯H/H⋯O(11.3%)接触对晶体堆积的相对贡献。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f79a/11701777/5c2850c54cf9/e-81-00001-fig1.jpg

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