Monsuru T. Kelani , Alfred Muller , Koop Lammertsma
{"title":"(η6-苯)氯化[(S)-2-(4-异丙基-4,5-二氢恶唑-2-基)苯酚]钌(II)","authors":"Monsuru T. Kelani , Alfred Muller , Koop Lammertsma","doi":"10.1107/S241431462400720X","DOIUrl":null,"url":null,"abstract":"<div><p>The title compound, [Ru(C<sub>12</sub>H<sub>14</sub>NO<sub>2</sub>)Cl(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)], exhibits a half-sandwich tripod stand structure and crystallizes in the orthorhombic space group <em>P</em>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>. The arene group is η<sup>6</sup> π-coordinated to the Ru atom with a centroid-to-metal distance of 1.6590 (5) Å, with the (<em>S</em>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolate chelate ligand forming a bite angle of 86.88 (19)° through its N and phenolate O atoms.</p></div><div><p>The title compound, [Ru(C<sub>12</sub>H<sub>14</sub>NO<sub>2</sub>)Cl(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)], exhibits a half-sandwich tripod stand structure and crystallizes in the orthorhombic space group <em>P</em>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>. The arene group is η<sup>6</sup> π-coordinated to the Ru atom with a centroid-to-metal distance of 1.6590 (5) Å, with the (<em>S</em>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolate chelate ligand forming a bite angle of 86.88 (19)° through its N and phenolate O atoms. The pseudo-octahedral geometry assumed by the complex is completed by a chloride ligand. The coordination of the optically pure bidentate ligand induces metal centered chirality onto the complex with a Flack parameter of −0.056.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (307KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 7","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"(η6-Benzene)chlorido[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato]ruthenium(II)\",\"authors\":\"Monsuru T. Kelani , Alfred Muller , Koop Lammertsma\",\"doi\":\"10.1107/S241431462400720X\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The title compound, [Ru(C<sub>12</sub>H<sub>14</sub>NO<sub>2</sub>)Cl(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)], exhibits a half-sandwich tripod stand structure and crystallizes in the orthorhombic space group <em>P</em>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>. The arene group is η<sup>6</sup> π-coordinated to the Ru atom with a centroid-to-metal distance of 1.6590 (5) Å, with the (<em>S</em>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolate chelate ligand forming a bite angle of 86.88 (19)° through its N and phenolate O atoms.</p></div><div><p>The title compound, [Ru(C<sub>12</sub>H<sub>14</sub>NO<sub>2</sub>)Cl(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)], exhibits a half-sandwich tripod stand structure and crystallizes in the orthorhombic space group <em>P</em>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>. The arene group is η<sup>6</sup> π-coordinated to the Ru atom with a centroid-to-metal distance of 1.6590 (5) Å, with the (<em>S</em>)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolate chelate ligand forming a bite angle of 86.88 (19)° through its N and phenolate O atoms. The pseudo-octahedral geometry assumed by the complex is completed by a chloride ligand. The coordination of the optically pure bidentate ligand induces metal centered chirality onto the complex with a Flack parameter of −0.056.<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (307KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></p></div>\",\"PeriodicalId\":94324,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"9 7\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-07-01\",\"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/S2414314624000683\",\"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/S2414314624000683","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
The title compound, [Ru(C12H14NO2)Cl(η6-C6H6)], exhibits a half-sandwich tripod stand structure and crystallizes in the orthorhombic space group P212121. The arene group is η6 π-coordinated to the Ru atom with a centroid-to-metal distance of 1.6590 (5) Å, with the (S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolate chelate ligand forming a bite angle of 86.88 (19)° through its N and phenolate O atoms.
The title compound, [Ru(C12H14NO2)Cl(η6-C6H6)], exhibits a half-sandwich tripod stand structure and crystallizes in the orthorhombic space group P212121. The arene group is η6 π-coordinated to the Ru atom with a centroid-to-metal distance of 1.6590 (5) Å, with the (S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolate chelate ligand forming a bite angle of 86.88 (19)° through its N and phenolate O atoms. The pseudo-octahedral geometry assumed by the complex is completed by a chloride ligand. The coordination of the optically pure bidentate ligand induces metal centered chirality onto the complex with a Flack parameter of −0.056.
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