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双[2-(1-苯并三唑-1-基)乙酸根-κ]双(乙醇胺-κN,)铜(II)的晶体结构

Crystal structure of -bis-[2-(1-benzotriazol-1-yl)acetato-κ]bis-(ethano-lamine-κ ,)copper(II).

作者信息

Alieva Guloy K, Ashurov Jamshid M, Kadirova Shahnoza A, Ibragimov Bakhtiyar T, Zakhidov Kasim A

机构信息

Institute of General and Inorganic Chemistry of Uzbekistan Academy of Sciences, M.Ulugbek Str, 77a, Tashkent.

Institute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, M. Ulugbek Str 83, Tashkent.

出版信息

Acta Crystallogr E Crystallogr Commun. 2019 Jan 18;75(Pt 2):233-236. doi: 10.1107/S2056989019000744. eCollection 2019 Feb 1.

Abstract

The reaction of 2-(1-benzotriazol-1-yl)acetic acid (HBTA; CHNO) and mono-ethano-lamine (MEA; CHNO) with CuCl·2HO resulted in the formation of the title complex, [Cu(CHNO)(CHNO)] or [Cu(BTA)(MEA)]. Its asymmetric unit comprises one BTA anion coordin-ating to the Cu cation (site symmetry ) through the carboxyl O atom, and one MEA ligand chelating the metal cation by two heteroatoms (O and N). The equatorial Cu-O and Cu-N bond lengths are similar at 2.029 (1) and 1.980 (2) Å, respectively, while the length of the axial Cu-O bond is considerably greater [2.492 (2) Å], as is typical for Jahn-Teller-distorted systems. An intra-molecular hydrogen bond is present between the hy-droxy group of the MEA ligand and the non-coordinating O atom of the carboxyl-ate group. Inter-molecular hydrogen bonding involving the amino function of the MEA ligand and the carboxyl-ate group results in eight-membered rings with an (8) graph-set motif. The mol-ecules are further linked by C-H⋯π inter-actions involving the triazole rings and methyl-ene groups of MEA, thus generating an overall three-dimensional supra-molecular framework.

摘要

2-(1-苯并三唑-1-基)乙酸(HBTA;C₇H₅N₃O₂)与单乙醇胺(MEA;C₂H₇NO)与CuCl₂·2H₂O反应生成了标题配合物[Cu(C₇H₄N₃O₂)(C₂H₇NO)]或[Cu(BTA)(MEA)]。其不对称单元包括一个通过羧基O原子与Cu阳离子配位的BTA阴离子(位点对称性 ),以及一个通过两个杂原子(O和N)螯合金属阳离子的MEA配体。赤道面的Cu - O和Cu - N键长分别相似,为2.029 (1) Å和1.980 (2) Å,而轴向Cu - O键长则长得多[2.492 (2) Å],这是Jahn - Teller畸变体系的典型特征。MEA配体的羟基与羧酸根基团的非配位O原子之间存在分子内氢键。涉及MEA配体的氨基功能和羧酸根基团的分子间氢键形成了具有(8)图集 motif的八元环。分子通过涉及MEA的三唑环和亚甲基的C - H⋯π相互作用进一步连接,从而生成一个整体的三维超分子框架。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1e88/6362665/f5d8afd66b14/e-75-00233-fig1.jpg

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