Odalys Anaya-Avila, Oscar Muñoz-Granados, Noemí Andrade-López, José G Alvarado-Rodríguez, Diego Martínez-Otero
{"title":"源自 N,N',S-三叉戟席夫碱的双核醋酸锌（II）配合物：合成、结构研究和希尔斯菲尔德表面分析。","authors":"Odalys Anaya-Avila, Oscar Muñoz-Granados, Noemí Andrade-López, José G Alvarado-Rodríguez, Diego Martínez-Otero","doi":"10.1107/S205322962400946X","DOIUrl":null,"url":null,"abstract":"<p><p>Three dinuclear zinc(II) acetate complexes of the general formula [Zn{L<sup>n</sup>}(AcO)]<sub>2</sub>, namely, di-μ-acetato-κ<sup>4</sup>O:O'-bis[({2-[(pyridin-2-ylmethylidene)amino]phenyl}sulfanido-κ<sup>3</sup>N,N',S)zinc(II)], [Zn<sub>2</sub>(C<sub>12</sub>H<sub>9</sub>N<sub>2</sub>S)<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>] (n = 1), 4, μ-acetato-1:2κ<sup>2</sup>O:O'-acetato-2κO-[μ-(2-{[1-(pyridin-2-yl)ethylidene]amino}phenyl)sulfanido-1κS:2κ<sup>3</sup>N,N',S][(2-{[1-(pyridin-2-yl)ethylidene]amino}phenyl)sulfanido-1κ<sup>3</sup>N,N',S]dizinc(II), [Zn<sub>2</sub>(C<sub>13</sub>H<sub>11</sub>N<sub>2</sub>S)<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>] (n = 2), 5, and μ-acetato-1:2κ<sup>2</sup>O:O'-acetato-2κO-[μ-(2-{[phenyl(pyridin-2-yl)methylidene]amino}phenyl)sulfanido-1κS:2κ<sup>3</sup>N,N',S][(2-{[phenyl(pyridin-2-yl)methylidene]amino}phenyl)sulfanido-1κ<sup>3</sup>N,N',S]dizinc(II)-bis(2-aminophenyl) disulfide (2/1), [Zn<sub>2</sub>(C<sub>18</sub>H<sub>13</sub>N<sub>2</sub>S)<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>]·0.5C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>S<sub>2</sub> (n = 3), 6·0.5(2-APS)<sub>2</sub>, were obtained from the reaction of 2-R-(pyridin-2-yl)benzothiazoline precursors (R = H, 1; R = Me, 2; R = Ph, 3) with zinc acetate dihydrate in a 1:1 ratio. All the complexes crystallized as dinuclear species and complex 6 cocrystallized with one molecule of bis(2-aminophenyl) disulfide (2-APS)<sub>2</sub>. The anionic Schiff base ligands {L<sup>n</sup>}<sup>-</sup> displayed a κ<sup>2</sup>N,κS-tridentate coordination mode with the formation of two five-membered chelate rings. In 4, 5 and 6·0.5(2-APS)<sub>2</sub>, both Zn<sup>II</sup> ions are pentacoordinated and the coordination sphere of 4 was different with respect to those in 5 and 6·0.5(2-APS)<sub>2</sub>. For 4, the X-ray diffraction study showed a dinuclear complex containing two bridging acetate ligands linked to both Zn<sup>II</sup> ions. For 5 and 6·0.5(2-APS)<sub>2</sub>, the dinuclear complexes displayed one bridging acetate ligand linked to both Zn<sup>II</sup> ions, where the first Zn<sup>II</sup> ion includes a dative bond with one S atom from an adjacent anionic Schiff base {L<sup>n</sup>}<sup>-</sup>, while the second Zn<sup>II</sup> ion is coordinated to one terminal acetate ligand. In each dinuclear complex, the geometry is the same for both Zn<sup>II</sup> metal centres. The local geometry of the Zn<sup>II</sup> cation in 4 is halfway between trigonal bipyramidal and square pyramidal local geometries; in 5 and 6, the local geometries are described as distorted square pyramidal. Hirshfeld surface analysis of 5 and 6 showed the predominance of H...H interactions, as well as the contribution of C-H...C, C-H...O and C-H...S noncovalent interactions to the cohesion of the crystalline network of the Zn<sup>II</sup> complexes.</p>","PeriodicalId":7115,"journal":{"name":"Acta Crystallographica Section C Structural Chemistry","volume":null,"pages":null},"PeriodicalIF":0.7000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Dinuclear zinc(II) acetate complexes derived from N,N',S-tridentate Schiff bases: synthesis, structural study and Hirshfeld surface analysis.\",\"authors\":\"Odalys Anaya-Avila, Oscar Muñoz-Granados, Noemí Andrade-López, José G Alvarado-Rodríguez, Diego Martínez-Otero\",\"doi\":\"10.1107/S205322962400946X\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Three dinuclear zinc(II) acetate complexes of the general formula [Zn{L<sup>n</sup>}(AcO)]<sub>2</sub>, namely, di-μ-acetato-κ<sup>4</sup>O:O'-bis[({2-[(pyridin-2-ylmethylidene)amino]phenyl}sulfanido-κ<sup>3</sup>N,N',S)zinc(II)], [Zn<sub>2</sub>(C<sub>12</sub>H<sub>9</sub>N<sub>2</sub>S)<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>] (n = 1), 4, μ-acetato-1:2κ<sup>2</sup>O:O'-acetato-2κO-[μ-(2-{[1-(pyridin-2-yl)ethylidene]amino}phenyl)sulfanido-1κS:2κ<sup>3</sup>N,N',S][(2-{[1-(pyridin-2-yl)ethylidene]amino}phenyl)sulfanido-1κ<sup>3</sup>N,N',S]dizinc(II), [Zn<sub>2</sub>(C<sub>13</sub>H<sub>11</sub>N<sub>2</sub>S)<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>] (n = 2), 5, and μ-acetato-1:2κ<sup>2</sup>O:O'-acetato-2κO-[μ-(2-{[phenyl(pyridin-2-yl)methylidene]amino}phenyl)sulfanido-1κS:2κ<sup>3</sup>N,N',S][(2-{[phenyl(pyridin-2-yl)methylidene]amino}phenyl)sulfanido-1κ<sup>3</sup>N,N',S]dizinc(II)-bis(2-aminophenyl) disulfide (2/1), [Zn<sub>2</sub>(C<sub>18</sub>H<sub>13</sub>N<sub>2</sub>S)<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>]·0.5C<sub>12</sub>H<sub>12</sub>N<sub>2</sub>S<sub>2</sub> (n = 3), 6·0.5(2-APS)<sub>2</sub>, were obtained from the reaction of 2-R-(pyridin-2-yl)benzothiazoline precursors (R = H, 1; R = Me, 2; R = Ph, 3) with zinc acetate dihydrate in a 1:1 ratio. All the complexes crystallized as dinuclear species and complex 6 cocrystallized with one molecule of bis(2-aminophenyl) disulfide (2-APS)<sub>2</sub>. The anionic Schiff base ligands {L<sup>n</sup>}<sup>-</sup> displayed a κ<sup>2</sup>N,κS-tridentate coordination mode with the formation of two five-membered chelate rings. In 4, 5 and 6·0.5(2-APS)<sub>2</sub>, both Zn<sup>II</sup> ions are pentacoordinated and the coordination sphere of 4 was different with respect to those in 5 and 6·0.5(2-APS)<sub>2</sub>. For 4, the X-ray diffraction study showed a dinuclear complex containing two bridging acetate ligands linked to both Zn<sup>II</sup> ions. For 5 and 6·0.5(2-APS)<sub>2</sub>, the dinuclear complexes displayed one bridging acetate ligand linked to both Zn<sup>II</sup> ions, where the first Zn<sup>II</sup> ion includes a dative bond with one S atom from an adjacent anionic Schiff base {L<sup>n</sup>}<sup>-</sup>, while the second Zn<sup>II</sup> ion is coordinated to one terminal acetate ligand. In each dinuclear complex, the geometry is the same for both Zn<sup>II</sup> metal centres. The local geometry of the Zn<sup>II</sup> cation in 4 is halfway between trigonal bipyramidal and square pyramidal local geometries; in 5 and 6, the local geometries are described as distorted square pyramidal. Hirshfeld surface analysis of 5 and 6 showed the predominance of H...H interactions, as well as the contribution of C-H...C, C-H...O and C-H...S noncovalent interactions to the cohesion of the crystalline network of the Zn<sup>II</sup> complexes.</p>\",\"PeriodicalId\":7115,\"journal\":{\"name\":\"Acta Crystallographica Section C Structural Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.7000,\"publicationDate\":\"2024-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section C Structural Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1107/S205322962400946X\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2024/10/4 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section C Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S205322962400946X","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/10/4 0:00:00","PubModel":"Epub","JCR":"Q4","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Dinuclear zinc(II) acetate complexes derived from N,N',S-tridentate Schiff bases: synthesis, structural study and Hirshfeld surface analysis.
Three dinuclear zinc(II) acetate complexes of the general formula [Zn{Ln}(AcO)]2, namely, di-μ-acetato-κ4O:O'-bis[({2-[(pyridin-2-ylmethylidene)amino]phenyl}sulfanido-κ3N,N',S)zinc(II)], [Zn2(C12H9N2S)2(C2H3O2)2] (n = 1), 4, μ-acetato-1:2κ2O:O'-acetato-2κO-[μ-(2-{[1-(pyridin-2-yl)ethylidene]amino}phenyl)sulfanido-1κS:2κ3N,N',S][(2-{[1-(pyridin-2-yl)ethylidene]amino}phenyl)sulfanido-1κ3N,N',S]dizinc(II), [Zn2(C13H11N2S)2(C2H3O2)2] (n = 2), 5, and μ-acetato-1:2κ2O:O'-acetato-2κO-[μ-(2-{[phenyl(pyridin-2-yl)methylidene]amino}phenyl)sulfanido-1κS:2κ3N,N',S][(2-{[phenyl(pyridin-2-yl)methylidene]amino}phenyl)sulfanido-1κ3N,N',S]dizinc(II)-bis(2-aminophenyl) disulfide (2/1), [Zn2(C18H13N2S)2(C2H3O2)2]·0.5C12H12N2S2 (n = 3), 6·0.5(2-APS)2, were obtained from the reaction of 2-R-(pyridin-2-yl)benzothiazoline precursors (R = H, 1; R = Me, 2; R = Ph, 3) with zinc acetate dihydrate in a 1:1 ratio. All the complexes crystallized as dinuclear species and complex 6 cocrystallized with one molecule of bis(2-aminophenyl) disulfide (2-APS)2. The anionic Schiff base ligands {Ln}- displayed a κ2N,κS-tridentate coordination mode with the formation of two five-membered chelate rings. In 4, 5 and 6·0.5(2-APS)2, both ZnII ions are pentacoordinated and the coordination sphere of 4 was different with respect to those in 5 and 6·0.5(2-APS)2. For 4, the X-ray diffraction study showed a dinuclear complex containing two bridging acetate ligands linked to both ZnII ions. For 5 and 6·0.5(2-APS)2, the dinuclear complexes displayed one bridging acetate ligand linked to both ZnII ions, where the first ZnII ion includes a dative bond with one S atom from an adjacent anionic Schiff base {Ln}-, while the second ZnII ion is coordinated to one terminal acetate ligand. In each dinuclear complex, the geometry is the same for both ZnII metal centres. The local geometry of the ZnII cation in 4 is halfway between trigonal bipyramidal and square pyramidal local geometries; in 5 and 6, the local geometries are described as distorted square pyramidal. Hirshfeld surface analysis of 5 and 6 showed the predominance of H...H interactions, as well as the contribution of C-H...C, C-H...O and C-H...S noncovalent interactions to the cohesion of the crystalline network of the ZnII complexes.
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Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.
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