IUCrData最新文献_第7页

Ti4Fe2C0.82O0.18 Ti4Fe2C0.8O0.18。

IUCrData Pub Date : 2024-09-01 DOI: 10.1107/S2414314624008903

Huizi Liu , Changzeng Fan , Bin Wen , Lifeng Zhang

{"title":"Ti4Fe2C0.82O0.18","authors":"Huizi Liu , Changzeng Fan , Bin Wen , Lifeng Zhang","doi":"10.1107/S2414314624008903","DOIUrl":"10.1107/S2414314624008903","url":null,"abstract":"<div><div>Ti4Fe2C0.82O0.18 is the first example where C and O atoms co-occupy the same site in filled Ti2Fe structures.</div></div><div><div>The phase with composition Ti4Fe2C0.82O0.18, tetratitanium diiron carbide oxide, was unexpectedly synthesized by high-pressure sintering (HPS) of a stoichiometric mixture with nominal composition Ti2Fe. The Ti4Fe2C0.82O0.18 phase crystallizes in the Fd<blockquote><div><figure><img></figure></div></blockquote>m space group and can be considered as the Ti2Fe structure filled with C and O atoms co-occupying the same octahedral void [occupancy ratio 0.82 (7):0.18 (7)]. The Ti4Fe2C0.82O0.18 phase is isotypic with Ti4Ni2C and Ti4Fe2O0.407, and is the first example where C and O atoms co-occupy the same site in filled Ti2Fe structures.<figure><img><ol><li>Download: Download high-res image (272KB)</li><li>Download: Download full-size image</li></ol></figure></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451028/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142383170","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

catena-Poly[[(8-aminoquinoline)cobalt(II)]-di-μ-azido] 链-多[[(8-氨基-喹啉)-钴(II)]-二-μ-叠氮]。

IUCrData Pub Date : 2024-09-01 DOI: 10.1107/S2414314624008496

Fatima Setifi , Zouaoui Setifi , David K. Geiger , Mohammed Hadi Al-Douh , Abderezak Addala

引用次数: 0

Δ-Bis[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato-κ2N,O1](1,10-phenanthroline-κ2N,N′)ruthenium(III) hexafluoridophosphate 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)。

IUCrData Pub Date : 2024-09-01 DOI: 10.1107/S2414314624008939

Monsuru T. Kelani , Alfred Muller , Koop Lammertsma

{"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":"10.1107/S2414314624008939","url":null,"abstract":"<div><div>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.</div></div><div><div>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.<figure><img><ol><li>Download: Download high-res image (545KB)</li><li>Download: Download full-size image</li></ol></figure></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451036/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142383171","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate [(1,2,5,6-η)-环辛烷-1,5-二烯](1-乙基-4-异丁基-1,2,4-三唑-5-基-亚烯)(三苯基膦)四氟硼酸铱(I)二-氯甲烷半甲醇酯。

IUCrData Pub Date : 2024-09-01 DOI: 10.1107/S2414314624009416

Timothy G. Lerch , Michael Gau , Daniel R. Albert , Edward Rajaseelan

{"title":"[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)iridium(I) tetrafluoridoborate dichloromethane hemisolvate","authors":"Timothy G. Lerch , Michael Gau , Daniel R. Albert , Edward Rajaseelan","doi":"10.1107/S2414314624009416","DOIUrl":"10.1107/S2414314624009416","url":null,"abstract":"<div><div>A new triazole-based N-heterocyclic carbene cationic iridium(I) complex with a tetrafluoridoborate counter-anion and hemi-solvating dichloromethane, [Ir(C8H12)(C18H15P)(C8H15N3)][BF4]·0.5CH2Cl2, has been structurally characterized.</div></div><div><div>A new triazole-based N-heterocyclic carbene IrI cationic complex with a tetrafluoridoborate counter-anion and hemi-solvating dichloromethane, [Ir(C8H12)(C8H15N3)(C18H15P)]BF4·0.5CH2Cl2, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit and one dichloromethane solvent molecule per two ion pairs. The cationic complex exhibits a distorted square-planar conformation around the IrI atom, formed by a bidentate cycloocta-1,5,diene (COD) ligand, a triphenylphosphane ligand, and an N-heterocyclic carbene (NHC). There are several close non-standard H⋯F hydrogen-bonding interactions that orient the tetrafluoridoborate anions with respect to the IrI complex molecules. The complex shows promising catalytic activity in transfer hydrogenation reactions. The structure was refined as a non-merohedral twin, and one of the COD molecules is statistically disordered.<figure><img><ol><li>Download: Download high-res image (301KB)</li><li>Download: Download full-size image</li></ol></figure></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451034/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142383070","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Bis[2-(isoquinolin-1-yl)phenyl-κ2N,C1](2-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline-κ2N,N′)iridium(III) hexafluoridophosphate methanol monosolvate 双[2-(异喹啉-1-基)苯基-κ2 N,C 1](2-苯基-1H-咪唑并[4,5-f][1,10]菲罗啉-κ2 N,N')铱(III)六氟磷酸盐甲醇单溶液。

IUCrData Pub Date : 2024-09-01 DOI: 10.1107/S2414314624008599

Silas Martin , William W. Brennessel , Ammar Hasan , Carly R. Reed

引用次数: 0

2-Bromoacetamide 2-溴乙酰胺。

IUCrData Pub Date : 2024-09-01 DOI: 10.1107/S2414314624008630

Anke Schwarzer , Manuel Stapf

引用次数: 0

μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC]silver(I)} chloride 1,2-dichloroethane hemisolvate μ-Chlorido-bis-{[1-benzyl-3-(2,4,6-tri-methyl-phen-yl)imidazol-2-yl-idene-κC]silver(I)} chloride 1,2-di-chloro-ethane hemisolvate.

IUCrData Pub Date : 2024-09-01 DOI: 10.1107/S2414314624008617

Kotiba Malek , Kuppuswamy Arumugam

{"title":"μ-Chlorido-bis{[1-benzyl-3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-κC]silver(I)} chloride 1,2-dichloroethane hemisolvate","authors":"Kotiba Malek , Kuppuswamy Arumugam","doi":"10.1107/S2414314624008617","DOIUrl":"10.1107/S2414314624008617","url":null,"abstract":"<div><div>The solid-state structural analysis of the title compound reveals that the two molecules of bis(1-benzyl-3-mesitylimidazol-2-ylidene)silver are connected via a bridging chloride atom. The structure also reveals non-classical intermolecular hydrogen-bonding interactions involving the chloride counter-anion.</div></div><div><div>The title compound, [Ag2(C19H20N2)4]Cl·0.5C2H4Cl2, can be readily generated by treatment of (1-benzyl-3-(2,4,6-trimethylphenyl)imidazolium chloride with sodium bis(trimethylsilyl)amide followed by silver chloride. The molecular structure of the compound was confirmed using NMR spectroscopy and single-crystal X-ray diffraction analysis. The crystal structure of the title compound at 110 K has monoclinic (P21/c) symmetry. The represented silver compound is of interest with respect to antibacterial properties and the structure displays a series of weak intermolecular hydrogen-bonding interactions with the chloride counter-anion.<figure><img><ol><li>Download: Download high-res image (373KB)</li><li>Download: Download full-size image</li></ol></figure></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451033/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142383172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ2-cyanido-κ12C:N-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate] 聚[三(2-氨基丁-1-醇)铜(II) [六-μ2-氰基-κ12C:N-四铜(I)] 双(2-氨基丁-1-醇)水合铜(II)一水合物］

IUCrData Pub Date : 2024-08-01 DOI: 10.1107/S2414314624008459

Peter W. R. Corfield , Paul Salvi

{"title":"Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ2-cyanido-κ12C:N-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]","authors":"Peter W. R. Corfield , Paul Salvi","doi":"10.1107/S2414314624008459","DOIUrl":"10.1107/S2414314624008459","url":null,"abstract":"<div>The title structure is made up of diperiodic anionic CuICN networks and two independent CuII complexes that are not covalently bonded to the networks.</div><div>The title structure, {[Cu(C4H11NO)3][Cu4(CN)6]·[Cu(C4H10NO)2(H2O)]·H2O}n, is made up of diperiodic honeycomb CuICN networks built from [Cu4(CN)6]2− units, together with two independent CuII complexes: six-coordinate [Cu(CH3CH2CH(NH2)CH2OH)3]2+ cations, and five-coordinate [Cu(CH3CH2CH(NH2)CH2O)2·H2O] neutral species. The two CuII complexes are not covalently bonded to the CuICN networks. Strong O—H⋯O hydrogen bonds link the CuII complexes into pairs and the pairs are hydrogen bonded into chains along the crystallographic b axis via the hydrate water molecule. In addition, O—H⋯(CN) and N—H⋯(CN) hydrogen bonds link the cations to the CuCN network. In the honeycomb polymeric moiety, all bridging cyanido ligands are disordered over two orientations, head-to-tail and tail-to-head, with occupancies for C and N atoms varying for each CN group.<figure><img><ol><li>Download: Download high-res image (267KB)</li><li>Download: Download full-size image</li></ol></figure></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150360","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

4-[(2-Phenylethyl)amino]benzoic acid 4-[(2-苯基乙基)氨基]苯甲酸

IUCrData Pub Date : 2024-08-01 DOI: 10.1107/S2414314624007533

Kexin Zhang , Sihui Long

引用次数: 0

Redetermined structure of 4-(benzyloxy)benzoic acid 重新确定 4-(苄氧基)苯甲酸的结构

IUCrData Pub Date : 2024-08-01 DOI: 10.1107/S2414314624007521

Qiuyi Song , Sihui Long

引用次数: 0