Synthesis, crystal structure and Hirshfeld surface analysis of a propyl 4-{[1-(2-methyl-4-nitrophenyl)-1H-1,2,3-triazol-4-yl]methoxy}benzoate copper(II) chloride complex

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-04-01 DOI:10.1107/S2056989025001732

Muminjon Hakimov , Ilkhomjon Ortikov , Tulkinjon Sattarov , Bakhodir Tashkhodjaev , Akmaljon Tojiboev

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引用次数: 0

Abstract

The title coordination compound was synthesized upon complexation of propyl 4-{[1-(2-methyl-4-nitrophenyl)-1H-1,2,3-triazol-4-yl]methoxy}benzoate and copper(II) chloride at 323 K. It crystallizes as a centrosymmetric dimer, with one copper atom, two chlorine atoms and two propyl 4-{[1-(2-methyl-4-nitrophenyl)-1H-1,2,3-triazol-4-yl]methoxy}benzoate ligands in the asymmetric unit.

The core of the title complex, dichloridobis(propyl 4-{[1-(2-methyl-4-nitrophenyl)-1H-1,2,3-triazol-4-yl]methoxy}benzoate)copper(II), [CuCl₂(C₂₀H₂₀N₄O₅)₂], which belongs to the copper(II) complex family, consists of two C₂₀H₂₀N₄O₅ ligands and two chloride ligands arranged around the metal, forming a trans-dichlorido square-planar complex. In the crystal, the molecules are linked by C—H⋯Cl and C—H⋯O hydrogen bonds as well as by aromatic π–π stacking interactions into a three-dimensional network. To further analyse the intermolecular interactions, a Hirshfeld surface analysis was performed.

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4-{[1-（2-甲基-4-硝基-苯基）- 1h -1,2,3-三唑-4-基]甲氧基苯甲酸铜（II）氯化配合物的合成、晶体结构和Hirshfeld表面分析

以4-{[1-（2-甲基-4-硝基-苯基）- 1h -1,2,3-三唑-4-基]甲氧基苯甲酸丙基与氯化铜在323 K下络合合成标题配位化合物。它结晶为中心对称二聚体，在不对称单元中有1个铜原子、2个氯原子和2个丙基4-{[1-（2-甲基-4-硝基-苯基）- 1h -1,2,3-三唑-4-基]甲氧基苯甲酸酯配体。标题配合物的核心是二氯-双-（丙基4-{[1-（2-甲基-4-硝基-苯基）- 1h -1,2,3-三唑-4-基]甲氧基苯甲酸）铜（II）， [CuCl2(C20H20N4O5)2]，属于铜（II）配合物家族，由两个C20H20N4O5配体和两个氯配体排列在金属周围，形成一个反式二氯基方平面配合物。在晶体中，分子通过C-H⋯Cl和C-H⋯O氢键以及芳香π -π堆叠相互作用连接成三维网络。为了进一步分析分子间的相互作用，进行了Hirshfeld表面分析。

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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.

Synthesis, crystal structure and Hirshfeld surface analysis of a propyl 4-{[1-(2-methyl-4-nitro­phen­yl)-1H-1,2,3-triazol-4-yl]meth­oxy}benzoate copper(II) chloride complex

Abstract

Synthesis, crystal structure and Hirshfeld surface analysis of a propyl 4-{[1-(2-methyl-4-nitrophenyl)-1H-1,2,3-triazol-4-yl]methoxy}benzoate copper(II) chloride complex