Ismael Angel-Nieto , Rosa Elena Arroyo-Carmona , Aarón Pérez-Benítez , Gerardo Aguirre-Hernández , Sylvain Bernès , I. Brito (Editor)
{"title":"反式二氯双(仲尼哒唑-κN 3)铜(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><p>The crystal structure of the title complex is stabilized by intermolecular O—H⋯Cl hydrogen bonds, forming <figure><img></figure> (18) ring motifs.</p></div><div><p>The use of acetic acid (HOAc) in a reaction between CuCl<sub>2</sub>·2H<sub>2</sub>O 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, [CuCl<sub>2</sub>(C<sub>7</sub>H<sub>11</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>]. This compound was previously synthesized using ethanol as solvent, although its crystal structure was not reported [Betanzos-Lara <em>et al.</em> (2013<span>#</span>). <em>Inorg. Chim. Acta</em>, <strong>397</strong>, 94–100]. In the molecular complex, the Cu<sup>2+</sup> 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 <em>R 2\n2\n</em>(18) ring motifs, forming chains in the [010] direction. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (294KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></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":"{\"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><p>The crystal structure of the title complex is stabilized by intermolecular O—H⋯Cl hydrogen bonds, forming <figure><img></figure> (18) ring motifs.</p></div><div><p>The use of acetic acid (HOAc) in a reaction between CuCl<sub>2</sub>·2H<sub>2</sub>O 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, [CuCl<sub>2</sub>(C<sub>7</sub>H<sub>11</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>]. This compound was previously synthesized using ethanol as solvent, although its crystal structure was not reported [Betanzos-Lara <em>et al.</em> (2013<span>#</span>). <em>Inorg. Chim. Acta</em>, <strong>397</strong>, 94–100]. In the molecular complex, the Cu<sup>2+</sup> 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 <em>R 2\\n2\\n</em>(18) ring motifs, forming chains in the [010] direction. <span><figure><span><img><ol><li><span>Download : <span>Download high-res image (294KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span> </p></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}","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}
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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