{"title":"8-Hydroxyquinolinium trichlorido(pyridine-2,6-dicarboxylic acid-κ3O,N,O′)copper(II) dihydrate","authors":"Yusufjon Eshkobilovich Nazarov , Khayit Khudainazarovich Turaev , Jabbor Ruziboevich Suyunov , Bekmurod Khurramovich Alimnazarov , Abdusamat Abdujabborovich Rasulov , Bakhtiyar Tulyaganovich Ibragimov , Jamshid Mengnorovich Ashurov","doi":"10.1107/S2056989024009186","DOIUrl":null,"url":null,"abstract":"<div><div>The title compound, (C<sub>9</sub>H<sub>8</sub>NO)[CuCl<sub>3</sub>(C<sub>7</sub>H<sub>5</sub>NO<sub>4</sub>)]·2H<sub>2</sub>O, was synthesized by reacting Cu<sup>II</sup> acetate, 8-hydroxyquinoline, and pyridine-2,6-dicarboxylic acid in dilute hydrochloric acid in a 1:1:1 molar ratio. The Cu<sup>II</sup> atom exhibits a distorted octahedral geometry coordinated by the H<sub>2</sub>pydc ligand and chloride atoms. In the crystal structure, various hydrogen bonds and weak interactions lead to the formation of a three-dimensional network.</div></div><div><div>The title compound, (C<sub>9</sub>H<sub>8</sub>NO)[CuCl<sub>3</sub>(C<sub>7</sub>H<sub>5</sub>NO<sub>4</sub>)]·2H<sub>2</sub>O, was prepared by reacting Cu<sup>II</sup> acetate dihydrate, solid 8-hydroxyquinoline (8-HQ), and solid pyridine-2,6-dicarboxylic acid (H<sub>2</sub>pydc), in a 1:1:1 molar ratio, in an aqueous solution of dilute hydrochloric acid. The Cu<sup>II</sup> atom exhibits a distorted CuO<sub>2</sub>NCl<sub>3</sub> octahedral geometry, coordinating two oxygen atoms and one nitrogen atom from the tridentate H<sub>2</sub>pydc 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 <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. Weak H⋯H contacts contribute 13.2% for the cation and 28.6% for the anion.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 10","pages":"Pages 1049-1053"},"PeriodicalIF":0.5000,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451499/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024002044","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
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.
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.