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)

{"title":"trans-Dichloridobis(secnidazole-κN 3)copper(II)","authors":"Ismael Angel-Nieto , Rosa Elena Arroyo-Carmona , Aarón Pérez-Benítez , Gerardo Aguirre-Hernández , Sylvain Bernès , I. Brito (Editor)","doi":"10.1107/S2414314624003766","DOIUrl":null,"url":null,"abstract":"<div>The crystal structure of the title complex is stabilized by intermolecular O—H⋯Cl hydrogen bonds, forming <figure><img></figure> (18) ring motifs.</div><div>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\n2\n(18) ring motifs, forming chains in the [010] direction. <figure><img><ol><li>Download : Download high-res image (294KB)</li><li>Download : Download full-size image</li></ol></figure> </div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 5","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2414314624000464","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 0

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.

Download : Download high-res image (294KB)
Download : Download full-size image

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

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。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文去求助

来源期刊