trans-Dichloridobis(secnidazole-κN 3)copper(II)

IUCrData Pub Date : 2024-05-01 DOI:10.1107/S2414314624003766

Ismael Angel-Nieto , Rosa Elena Arroyo-Carmona , Aarón Pérez-Benítez , Gerardo Aguirre-Hernández , Sylvain Bernès , I. Brito (Editor)

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Abstract

The crystal structure of the title complex is stabilized by intermolecular O—H⋯Cl hydrogen bonds, forming

(18) ring motifs.

The use of acetic acid (HOAc) in a reaction between CuCl₂·2H₂O and secnidazole, an active pharmaceutical ingredient useful in the treatment against a variety of anaerobic Gram-positive and Gram-negative bacteria, affords the title complex, [CuCl₂(C₇H₁₁N₃O₃)₂]. This compound was previously synthesized using ethanol as solvent, although its crystal structure was not reported [Betanzos-Lara et al. (2013#). Inorg. Chim. Acta, 397, 94–100]. In the molecular complex, the Cu²⁺ cation is situated at an inversion centre and displays a square-planar coordination environment. There is a hydrogen-bonded framework based on intermolecular O—H⋯Cl interactions, characterized by H⋯Cl separations of 2.28 (4) Å and O—H⋯Cl angles of 175 (3)°. The resulting supramolecular network is based on R 2 2 (18) ring motifs, forming chains in the [010] direction.

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反式二氯双(仲尼哒唑-κN 3)铜(II)

CuCl2-2H2O 是一种活性药物成分，可用于治疗多种厌氧革兰阳性菌和革兰阴性菌，在 CuCl2-2H2O 与瞬效哒唑的反应中使用乙酸 (HOAc) 可以得到标题复合物 [CuCl2(C7H11N3O3)2]。该化合物之前是以乙醇为溶剂合成的，但其晶体结构尚未报道[Betanzos-Lara et al. Inorg. Chim. Acta, 397, 94-100]。在该分子复合物中，Cu2+ 阳离子位于反转中心，并显示出方形平面配位环境。分子间的 O-H......Cl相互作用形成了一个氢键框架，H......Cl 间距为 2.28 (4) Å，O-H......Cl 角为 175 (3)°。由此产生的超分子网络以 R2 2 (18) 环图案为基础，沿 [010] 方向形成链。

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