Monsuru T. Kelani , Alfred Muller , Koop Lammertsma
{"title":"Δ-双[(S)-2-(4-异丙基-4,5-二氢-恶唑-2-基)苯酚基-κ2 N,O 1](1,10-菲罗啉-κ2 N,N')六氟磷酸钌(III)。","authors":"Monsuru T. Kelani , Alfred Muller , Koop Lammertsma","doi":"10.1107/S2414314624008939","DOIUrl":null,"url":null,"abstract":"<div><div>The title compound is an example for a chiral-at-metal complex, with the Ru<sup>III</sup> atom having an octahedral coordination environment by three bidentate ligands.</div></div><div><div>The title compound, [Ru(C<sub>12</sub>H<sub>14</sub>NO<sub>2</sub>)<sub>2</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)]PF<sub>6</sub> crystallizes in the tetragonal Sohnke space group <em>P</em>4<sub>1</sub>2<sub>1</sub>2. The two bidentate chiral salicyloxazoline ligands and the phenanthroline co-ligand coordinate to the central Ru<sup>III</sup> atom through N,O and N,N atom pairs to form bite angles of 89.76 (15) and 79.0 (2)°, respectively. The octahedral coordination of the bidentate ligands leads to a propeller-like shape, which induces metal-centered chirality onto the complex, with a right-handed (Δ) absolute configuration [the Flack parameter value is −0.003 (14)]. Both the complex cation and the disordered PF<sub>6</sub><sup>−</sup> counter-anion are located on twofold rotation axes. Apart from Coulombic forces, the crystal cohesion is ensured by non-classical C—H⋯O and C—H⋯F interactions.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (545KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 9","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451036/pdf/","citationCount":"0","resultStr":"{\"title\":\"Δ-Bis[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ2N,O1](1,10-phenanthroline-κ2N,N′)ruthenium(III) hexafluoridophosphate\",\"authors\":\"Monsuru T. Kelani , Alfred Muller , Koop Lammertsma\",\"doi\":\"10.1107/S2414314624008939\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The title compound is an example for a chiral-at-metal complex, with the Ru<sup>III</sup> atom having an octahedral coordination environment by three bidentate ligands.</div></div><div><div>The title compound, [Ru(C<sub>12</sub>H<sub>14</sub>NO<sub>2</sub>)<sub>2</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)]PF<sub>6</sub> crystallizes in the tetragonal Sohnke space group <em>P</em>4<sub>1</sub>2<sub>1</sub>2. The two bidentate chiral salicyloxazoline ligands and the phenanthroline co-ligand coordinate to the central Ru<sup>III</sup> atom through N,O and N,N atom pairs to form bite angles of 89.76 (15) and 79.0 (2)°, respectively. The octahedral coordination of the bidentate ligands leads to a propeller-like shape, which induces metal-centered chirality onto the complex, with a right-handed (Δ) absolute configuration [the Flack parameter value is −0.003 (14)]. Both the complex cation and the disordered PF<sub>6</sub><sup>−</sup> counter-anion are located on twofold rotation axes. Apart from Coulombic forces, the crystal cohesion is ensured by non-classical C—H⋯O and C—H⋯F interactions.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (545KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>\",\"PeriodicalId\":94324,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"9 9\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451036/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"IUCrData\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2414314624000932\",\"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/S2414314624000932","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
The title compound is an example for a chiral-at-metal complex, with the RuIII atom having an octahedral coordination environment by three bidentate ligands.
The title compound, [Ru(C12H14NO2)2(C12H8N2)]PF6 crystallizes in the tetragonal Sohnke space group P41212. The two bidentate chiral salicyloxazoline ligands and the phenanthroline co-ligand coordinate to the central RuIII atom through N,O and N,N atom pairs to form bite angles of 89.76 (15) and 79.0 (2)°, respectively. The octahedral coordination of the bidentate ligands leads to a propeller-like shape, which induces metal-centered chirality onto the complex, with a right-handed (Δ) absolute configuration [the Flack parameter value is −0.003 (14)]. Both the complex cation and the disordered PF6− counter-anion are located on twofold rotation axes. Apart from Coulombic forces, the crystal cohesion is ensured by non-classical C—H⋯O and C—H⋯F interactions.
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