8-Hy-droxy-quinolinium tri-chlorido-(pyridine-2,6-di-carb-oxy-lic acid-κ3 O,N,O')copper(II) dihydrate.

IF 0.5 Q4 CRYSTALLOGRAPHY
Yusufjon Eshkobilovich Nazarov , Khayit Khudainazarovich Turaev , Jabbor Ruziboevich Suyunov , Bekmurod Khurramovich Alimnazarov , Abdusamat Abdujabborovich Rasulov , Bakhtiyar Tulyaganovich Ibragimov , Jamshid Mengnorovich Ashurov
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In the equatorial plane, the oxygen and chloride atoms are arranged in a <em>cis</em> configuration, with Cu—O bond lengths of 2.366 (2) and 2.424 (2) Å, and Cu—Cl bond lengths of 2.4190 (10) and 2.3688 (11) Å. The asymmetric unit contains 8-HQ<sup>+</sup> as a counter-ion and two uncoordinated water mol­ecules. The crystal structure features strong O—H⋯O and O—H⋯Cl hydrogen bonds as well as weak inter­actions including C—H⋯O, C—H⋯Cl, Cu—Cl⋯π, and π–π, which result in a three-dimensional network. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing involving the main residues are from H⋯Cl/Cl⋯H inter­actions, contributing 40.3% for the anion. 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引用次数: 0

摘要

标题化合物 (C9H8NO)[CuCl3(C7H5NO4)]-2H2O,是由二水合醋酸铜Ⅱ、固体 8-hy-droxy-quinoline (8-HQ) 和固体吡啶-2,6-二-羰基-氧-酸 (H2pydc) 以 1:1:1 的摩尔比,在稀释的氢氯酸水溶液中反应制备而成。CuII 原子呈扭曲的 CuO2NCl3 八面体几何形状,与来自三叉 H2pydc 配体的两个氧原子和一个硝基根原子以及三个氯原子配位;硝基根原子和一个氯原子占据轴向位置,Cu-N 和 Cu-Cl 键长度分别为 2.011 (2) Å 和 2.2067 (9) Å。在赤道面上,氧原子和氯原子以顺式构型排列,Cu-O 键长度分别为 2.366 (2) Å 和 2.424 (2) Å,Cu-Cl 键长度分别为 2.4190 (10) Å 和 2.3688 (11) Å。不对称单元包含作为反离子的 8-HQ+ 和两个未配位的水分子。晶体结构具有强 O-H⋯O 和 O-H⋯Cl 氢键,以及包括 C-H⋯O、C-H⋯Cl、Cu-Cl⋯π 和 π-π 在内的弱相互作用,从而形成了一个三维网络。Hirshfeld 表面分析表明,H⋯Cl/Cl⋯H 相互作用对涉及主要残基的晶体堆积的贡献最大,占阴离子的 40.3%。弱 H⋯H 接触对阳离子的贡献率为 13.2%,对阴离子的贡献率为 28.6%。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
8-Hy­droxy­quinolinium tri­chlorido­(pyridine-2,6-di­carb­oxy­lic acid-κ3O,N,O′)copper(II) dihydrate
The title compound, (C9H8NO)[CuCl3(C7H5NO4)]·2H2O, was synthesized by reacting CuII acetate, 8-hy­droxy­quinoline, and pyridine-2,6-di­carb­oxy­lic acid in dilute hydro­chloric acid in a 1:1:1 molar ratio. The CuII atom exhibits a distorted octa­hedral geometry coordinated by the H2pydc ligand and chloride atoms. In the crystal structure, various hydrogen bonds and weak inter­actions lead to the formation of a three-dimensional network.
The title compound, (C9H8NO)[CuCl3(C7H5NO4)]·2H2O, was prepared by reacting CuII acetate dihydrate, solid 8-hy­droxy­quinoline (8-HQ), and solid pyridine-2,6-di­carb­oxy­lic acid (H2pydc), in a 1:1:1 molar ratio, in an aqueous solution of dilute hydro­chloric acid. The CuII atom exhibits a distorted CuO2NCl3 octa­hedral geometry, coordinating two oxygen atoms and one nitro­gen atom from the tridentate H2pydc ligand and three chloride atoms; the nitro­gen atom and one chloride atom occupy the axial positions with Cu—N and Cu—Cl bond lengths of 2.011 (2) Å and 2.2067 (9) Å, respectively. In the equatorial plane, the oxygen and chloride atoms are arranged in a cis configuration, with Cu—O bond lengths of 2.366 (2) and 2.424 (2) Å, and Cu—Cl bond lengths of 2.4190 (10) and 2.3688 (11) Å. The asymmetric unit contains 8-HQ+ as a counter-ion and two uncoordinated water mol­ecules. The crystal structure features strong O—H⋯O and O—H⋯Cl hydrogen bonds as well as weak inter­actions including C—H⋯O, C—H⋯Cl, Cu—Cl⋯π, and π–π, which result in a three-dimensional network. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing involving the main residues are from H⋯Cl/Cl⋯H inter­actions, contributing 40.3% for the anion. Weak H⋯H contacts contribute 13.2% for the cation and 28.6% for the anion.
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来源期刊
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.
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