{"title":"Di-aqua-bis - dl -α-lipoato -κ2或奥),锰(II)。","authors":"Farkhod Raxmatovich Jumabaev , Avez Tuymuradovich Sharipov , Vazirakhon Khasanxoja kizi Mannopova , Odil Irgashevich Choriyev , Jamshid Mengnorovich Ashurov","doi":"10.1107/S2414314625005656","DOIUrl":null,"url":null,"abstract":"<div><div>The crystal structure of the title diaquabis(lipoato-κ<sup>2</sup><em>O</em>,<em>O</em>′)manganese(II) complex reveals a distorted octahedral geometry around the Mn<sup>II</sup> centre. The supramolecular framework is consolidated by O—H⋯O and C—H⋯S hydrogen bonds.</div></div><div><div>The manganese(II) coordination compound, [Mn(C<sub>8</sub>H<sub>13</sub>S<sub>2</sub>O<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>], with two bidentate α-lipoate ligands and two coordinating water molecules, has been structurally characterized. The cantral Mn<sup>II</sup> atom lies on a crystallographic twofold rotation axis and adopts a distorted octahedral coordination environment, with carboxylate groups chelating the metal in a κ<sup>2</sup><em>O</em>,<em>O</em>′-binding mode. One of the sulfur atoms within the 1,2-dithiolane ring exhibits positional disorder over two sites, with refined occupancies of 0.92 and 0.08. The complex is isostructural with previously reported Zn<sup>II</sup> and Cd<sup>II</sup> analogues, both of which also display positional disorder in the 1,2-dithiolane ring. The molecules are linked <em>via</em> intermolecular O—H⋯O and C—H⋯S hydrogen bonds into a di-periodic supramolecular framework parallel to (100).<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (192KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 6","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Diaquabis(dl-α-lipoato-κ2O,O′)manganese(II)\",\"authors\":\"Farkhod Raxmatovich Jumabaev , Avez Tuymuradovich Sharipov , Vazirakhon Khasanxoja kizi Mannopova , Odil Irgashevich Choriyev , Jamshid Mengnorovich Ashurov\",\"doi\":\"10.1107/S2414314625005656\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The crystal structure of the title diaquabis(lipoato-κ<sup>2</sup><em>O</em>,<em>O</em>′)manganese(II) complex reveals a distorted octahedral geometry around the Mn<sup>II</sup> centre. The supramolecular framework is consolidated by O—H⋯O and C—H⋯S hydrogen bonds.</div></div><div><div>The manganese(II) coordination compound, [Mn(C<sub>8</sub>H<sub>13</sub>S<sub>2</sub>O<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>], with two bidentate α-lipoate ligands and two coordinating water molecules, has been structurally characterized. The cantral Mn<sup>II</sup> atom lies on a crystallographic twofold rotation axis and adopts a distorted octahedral coordination environment, with carboxylate groups chelating the metal in a κ<sup>2</sup><em>O</em>,<em>O</em>′-binding mode. One of the sulfur atoms within the 1,2-dithiolane ring exhibits positional disorder over two sites, with refined occupancies of 0.92 and 0.08. The complex is isostructural with previously reported Zn<sup>II</sup> and Cd<sup>II</sup> analogues, both of which also display positional disorder in the 1,2-dithiolane ring. The molecules are linked <em>via</em> intermolecular O—H⋯O and C—H⋯S hydrogen bonds into a di-periodic supramolecular framework parallel to (100).<blockquote><div><span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (192KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></blockquote></div></div>\",\"PeriodicalId\":94324,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"10 6\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-06-01\",\"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/S2414314625000537\",\"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/S2414314625000537","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 diaquabis(lipoato-κ2O,O′)manganese(II) complex reveals a distorted octahedral geometry around the MnII centre. The supramolecular framework is consolidated by O—H⋯O and C—H⋯S hydrogen bonds.
The manganese(II) coordination compound, [Mn(C8H13S2O2)2(H2O)2], with two bidentate α-lipoate ligands and two coordinating water molecules, has been structurally characterized. The cantral MnII atom lies on a crystallographic twofold rotation axis and adopts a distorted octahedral coordination environment, with carboxylate groups chelating the metal in a κ2O,O′-binding mode. One of the sulfur atoms within the 1,2-dithiolane ring exhibits positional disorder over two sites, with refined occupancies of 0.92 and 0.08. The complex is isostructural with previously reported ZnII and CdII analogues, both of which also display positional disorder in the 1,2-dithiolane ring. The molecules are linked via intermolecular O—H⋯O and C—H⋯S hydrogen bonds into a di-periodic supramolecular framework parallel to (100).