Nazarov Yusufjon Eshkobilovich, Turaev Khayit Khudainazarovich, Suyunov Jabbor Ruziboevich, Alimnazarov Bekmurod Khurramovich, Rasulov Abdusamat Abdujabborovich, Ibragimov Bakhtiyar Tulyaganovich, Ashurov Jamshid Mengnorovich
Termez State University, Barkamol Avlod Street 43, Termez City, Uzbekistan.
Institute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, 100125, M. Ulugbek Str. 83, Tashkent, 700125, Uzbekistan.
Acta Crystallogr E Crystallogr Commun. 2024 Sep 24;80(Pt 10):1049-1053. doi: 10.1107/S2056989024009186. eCollection 2024 Sep 1.
The title compound, (CHNO)[CuCl(CHNO)]·2HO, was prepared by reacting Cu acetate dihydrate, solid 8-hy-droxy-quinoline (8-HQ), and solid pyridine-2,6-di-carb-oxy-lic acid (Hpydc), in a 1:1:1 molar ratio, in an aqueous solution of dilute hydro-chloric acid. The Cu atom exhibits a distorted CuONCl octa-hedral geometry, coordinating two oxygen atoms and one nitro-gen atom from the tridentate Hpydc ligand and three chloride atoms; the nitro-gen 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 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 mol-ecules. The crystal structure features strong O-H⋯O and O-H⋯Cl hydrogen bonds as well as weak inter-actions 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 inter-actions, contributing 40.3% for the anion. Weak H⋯H contacts contribute 13.2% for the cation and 28.6% for the anion.
标题化合物(CHNO)[CuCl(CHNO)]·2HO是通过使二水合醋酸铜、固体8-羟基喹啉(8-HQ)和固体吡啶-2,6-二羧酸(Hpydc)以1:1:1的摩尔比在稀盐酸水溶液中反应制备的。铜原子呈现出扭曲的CuONCl八面体几何构型，与三齿Hpydc配体的两个氧原子和一个氮原子以及三个氯原子配位；氮原子和一个氯原子占据轴向位置，Cu-N和Cu-Cl键长分别为2.011(2)Å和2.2067(9)Å。在赤道平面上，氧原子和氯原子呈构型排列，Cu-O键长为2.366(2)和2.424(2)Å，Cu-Cl键长为2.4190(10)和2.3688(11)Å。不对称单元包含作为抗衡离子的8-HQ和两个未配位的水分子。晶体结构具有强的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，形成三维网络。 Hirshfeld表面分析表明，对涉及主要残基的晶体堆积最重要的贡献来自H⋯Cl/Cl⋯H相互作用，对阴离子贡献40.3%。弱的H⋯H接触对阳离子贡献13.2%，对阴离子贡献28.6%。
