catena-Poly[[[aquacopper(II)]-μ-hydroxido-κ2O:O-μ-[3-(4H-1,2,4-triazol-4-yl)benzoato]-κ2N1:N2] monohydrate]

IUCrData Pub Date : 2025-07-01 DOI:10.1107/S2414314625006388

Xiao-Yu Li , Ye Zhou , Hong-Can Wang , Meng Ji , Guo-Ao Li , Ai-Xin Zhu

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Abstract

The Cu²⁺ cation in the polymeric title compound has an N₂O₃ coordination set, intermediate between a square pyramid and a trigonal bipyramid.

In the title compound, {[Cu(C₉H₆N₃O₂)(OH)(H₂O)]·H₂O]}_n, the Cu²⁺ cation is situated on a twofold rotation axis and is coordinated by two triazole N atoms from two different 3-(4H-1,2,4-triazol-4-yl)benzoate (3-tba) ligands, by two hydroxyl O atoms and by a water O atom, forming a coordination environment intermediate between a square pyramid and a trigonal bipyramid. The Cu²⁺ ions are connected by 3-tba ligand and a hydroxy group into polymeric chains parallel to [001]. O—H⋯O hydrogen bonds and C—H⋯O interactions consolidate the crystal structure.

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catena-Poly [[[aqua-copper (II)] -μ-hydroxido -κ2 O, O -μ- [3 - (4 h - 2 4-triazol-4-yl) benzoato] -κ2 N 1: N 2]一水]。

在标题化合物{[Cu(C9H6N3O2)(OH)(H2O)]·H2O]} n中，Cu2+阳离子位于双旋轴上，由来自两种不同的3-（4h -1,2,4-三唑-4-基）苯甲酸酯（3-tba）配体的两个三唑n原子、两个羟基O原子和一个水O原子配位，形成介于正方形金字塔和三角形双金字塔之间的配位环境。Cu2+离子由3-tba配体和一个羟基连接成平行于[001]的聚合链。O- h⋯O氢键和C-H⋯O相互作用巩固了晶体结构。

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