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。

IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Acta Crystallographica Section C Structural Chemistry Pub Date : 2024-11-01 Epub Date: 2024-10-04 DOI:10.1107/S205322962400946X
Odalys Anaya-Avila, Oscar Muñoz-Granados, Noemí Andrade-López, José G Alvarado-Rodríguez, Diego Martínez-Otero
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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. 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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. 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引用次数: 0

摘要

三种通式为[Zn{Ln}(AcO)]2 的双核醋酸锌(II)配合物,即二μ-醋酸基-κ4O:O'-双[({2-[(吡啶-2-基亚甲基)氨基]苯基}硫代-κ3N,N',S)锌(II)],[Zn2(C12H9N2S)2(C2H3O2)2](n = 1),4,μ-乙酰基-1:2κO:O'-乙酰基-2κO-[μ-(2-{[1-(吡啶-2-基)亚乙基]氨基}苯基)硫-1κS:2κ3N,N',S][(2-{[1-(吡啶-2-基)亚乙基]氨基}苯基)硫代-1κ3N,N',S]二锌(II),[Zn2(C13H11N2S)2(C2H3O2)2](n = 2),5,和μ-乙酰基-1:2κ2O:O'-acetato-2κO-[μ-(2-{[phenyl(pyridin-2-yl)methylidene]amino}phenyl)sulfanido-1κS:2κ3N,N',S][(2-{[苯基(吡啶-2-基)亚甲基]氨基}苯基)磺酰-1κ3N,N',S]二锌(II)-双(2-氨基苯基)二硫化物 (2/1),[Zn2(C18H13N2S)2(C2H3O2)2]-0。5C12H12N2S2 (n = 3)、6-0.5(2-APS)2 是由 2-R-(吡啶-2-基)苯并噻唑啉前体(R = H,1;R = Me,2;R = Ph,3)与二水醋酸锌按 1:1 的比例反应得到的。所有配合物均以双核形式结晶,配合物 6 与一分子双(2-氨基苯基)二硫化物(2-APS)2 共同结晶。阴离子席夫碱配体 {Ln}- 显示出一种 κ2N、κS-三叉配位模式,形成两个五元螯合环。在 4、5 和 6-0.5(2-APS)2 中,两个 ZnII 离子都是五配位的,而且 4 的配位球与 5 和 6-0.5(2-APS)2 中的配位球不同。X 射线衍射研究显示,4 是一种双核配合物,含有两个与两个 ZnII 离子相连的桥接醋酸配体。对于 5 和 6-0.5(2-APS)2,双核配合物显示了一个与两个 ZnII 离子相连的桥接醋酸配体,其中第一个 ZnII 离子与相邻阴离子席夫碱 {Ln}- 的一个 S 原子形成配位键,而第二个 ZnII 离子则与一个末端醋酸配体配位。在每个双核复合物中,两个 ZnII 金属中心的几何形状相同。在 4 中,ZnII 阳离子的局部几何形状介于三叉双锥和方形金字塔局部几何形状之间;在 5 和 6 中,局部几何形状被描述为扭曲的方形金字塔。对 5 和 6 的 Hirshfeld 表面分析表明,H...H 相互作用以及 C-H...C、C-H...O 和 C-H...S 非共价相互作用对 ZnII 复合物晶体网络的内聚力起着主导作用。
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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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来源期刊
Acta Crystallographica Section C Structural Chemistry
Acta Crystallographica Section C Structural Chemistry CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY
CiteScore
1.60
自引率
12.50%
发文量
148
期刊介绍: 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.
期刊最新文献
Dinuclear zinc(II) acetate complexes derived from N,N',S-tridentate Schiff bases: synthesis, structural study and Hirshfeld surface analysis. Hydrogen-bonding interactions in the salts 2,4,6-triaminopyrimidin-1-ium sorbate dihydrate, 2,4,6-triaminopyrimidin-1-ium N-phenylantharanilate and 2,4,6-triaminopyrimidin-1-ium p-toluenesulfonate. Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes. Structural insights into supramolecular interactions in isostructural salts of 2,4,6-triaminopyrimidinium with various heterocyclic carboxylates. Photocrystallography - common or exclusive?
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