IUCrData最新文献_第9页

[1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate [1-(蒽-9-基甲基)-1,4,7,10-四氮杂环十二烯]氯化锌硝酸盐。

IUCrData Pub Date : 2024-07-01 DOI: 10.1107/S2414314624006655

Yoshimi Ichimaru , Kirara Sugiura , Koichi Kato , Yuki Kondo , Masaaki Kurihara , Wanchun Jin , Masanori Imai , Hiromasa Kurosaki

{"title":"[1-(Anthracen-9-ylmethyl)-1,4,7,10-tetraazacyclododecane]chloridozinc(II) nitrate","authors":"Yoshimi Ichimaru , Kirara Sugiura , Koichi Kato , Yuki Kondo , Masaaki Kurihara , Wanchun Jin , Masanori Imai , Hiromasa Kurosaki","doi":"10.1107/S2414314624006655","DOIUrl":"10.1107/S2414314624006655","url":null,"abstract":"<div>The ZnII atom in the complex cation of the title salt has a square-pyramidal coordination environment defined by four nitrogen atoms from cyclen (1,4,7,10-tetraazacyclododecane) in the basal plane and one chlorido ligand in the apical position.</div><div>In the title salt, [ZnCl(C23H30N4)]NO3, the central ZnII atom of the complex cation is coordinated in a square-pyramidal arrangement by four nitrogen atoms from cyclen (1,4,7,10-tetraazacyclododecane) in the basal plane and one chlorido ligand in the apical position. The anthracene group attached to cyclen contributes to the crystal packing through intermolecular T-shaped π interactions. Additionally, the nitrate anion participates in intermolecular N—H⋯O hydrogen bonds with cyclen.<figure><img><ol><li>Download: Download high-res image (294KB)</li><li>Download: Download full-size image</li></ol></figure></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11299653/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141899328","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[[μ3-2-(benzotriazol-1-yl)acetato-κ3O:O′:N3]chlorido(ethanol-κO)cobalt(II)] 聚[[μ3-2-(苯并三唑-1-基)乙酸酯-κ3 O:O′:N 3]氯化(乙醇-κO)钴(II)

IUCrData Pub Date : 2024-07-01 DOI: 10.1107/S2414314624006308

Yun-Yun Zheng , De-Sen Su , Qing-Hua Yao , Min-Min Huang

引用次数: 0

Chlorido[(1,2,5,6-η)-cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)rhodium(I) 氯[(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-亚基)铑(I)

IUCrData Pub Date : 2024-07-01 DOI: 10.1107/S2414314624007041

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

{"title":"Chlorido[(1,2,5,6-η)-cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)rhodium(I)","authors":"Timothy G. Lerch , Michael Gau , Daniel R. Albert , Edward Rajaseelan","doi":"10.1107/S2414314624007041","DOIUrl":"10.1107/S2414314624007041","url":null,"abstract":"<div>A new neutral triazole-based N-heterocyclic carbene rhodium(I) complex [RhCl(C8H12)(C8H15N3)], has been synthesized and structurally characterized. The complex crystallizes with two molecules in the asymmetric unit. The rhodium center has a distorted square-planar conformation, formed by a cycloocta-1,5-diene (COD) ligand, an N-heterocyclic carbene (NHC) ligand, and a chloride ligand.</div><div>A new neutral triazole-based N-heterocyclic carbene rhodium(I) complex [RhCl(C8H12)(C8H15N3)], has been synthesized and structurally characterized. The complex crystallizes with two molecules in the asymmetric unit. The central rhodium(I) atom has a distorted square-planar coordination environment, formed by a cycloocta-1,5-diene (COD) ligand, an N-heterocyclic carbene (NHC) ligand, and a chlorido ligand. The bond lengths are unexceptional. A weak intermolecular non-standard hydrogen-bonding interaction exists between the chlorido and NHC ligands.<figure><img><ol><li>Download: Download high-res image (253KB)</li><li>Download: Download full-size image</li></ol></figure></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141810255","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(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ3O,N,O′:2κ3O′′,N′,O′′′-bis[trioxidomolybdate(VI)] tetrahydrate 双(乙二铵)μ-乙二胺四乙酰氧基-1κ3 O,N,O′:2κ3 O′′,N′,O′′-双[三氧化钼(VI)]四水合物

IUCrData Pub Date : 2024-07-01 DOI: 10.1107/S2414314624006679

Lamine Yaffa , Dame Seye , Antoine Blaise Kama , Assane Toure , Cheikh Abdoul Khadir Diop

{"title":"Bis(ethylenediammonium) μ-ethylenediaminetetraacetato-1κ3O,N,O′:2κ3O′′,N′,O′′′-bis[trioxidomolybdate(VI)] tetrahydrate","authors":"Lamine Yaffa , Dame Seye , Antoine Blaise Kama , Assane Toure , Cheikh Abdoul Khadir Diop","doi":"10.1107/S2414314624006679","DOIUrl":"10.1107/S2414314624006679","url":null,"abstract":"<div>The title compound is a binuclear complex of molybdenum with a ethylenediaminetretraacetate ligand bridging two MoO3 units.</div><div>The title compound, (C2H10N2)2[(C10H12N2O8)(MoO3)2]·4H2O, which crystallizes in the monoclinic C2/c space group, was obtained by mixing molybdenum oxide, ethylenediamine and ethylenediaminetetraacetic acid (H4edta) in a 2:4:1 ratio. The complex anion contains two MoO3 units bridged by an edta4− anion. The midpoint of the central C—C bond of the edta4− anion is located on a crystallographic inversion centre. The independent Mo atom is tridentately coordinated by a nitrogen atom and two carboxylate groups of the edta4− ligand, together with the three oxo ligands, producing a distorted octahedral coordination environment. In the three-dimensional supramolecular crystal structure, the dinuclear anions, the organoammonium counter-ions and the solvent water molecules are linked by N—H⋯Ow, N—H⋯Oedta and O—H⋯O hydrogen bonds.<figure><img><ol><li>Download: Download high-res image (300KB)</li><li>Download: Download full-size image</li></ol></figure></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141652964","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

Dicarbonyl-1κ2C-μ-chlorido-2:3κ2Cl:Cl-pentachlorido-2κ2Cl,3κ3Cl-[1(η6)-toluene]digallium(III)ruthenium(I)(Ru—Ga) 二羰基-1κ2 C-μ-chlorido-2:3κ2 Cl:Cl-pentachlorido-2κ2 Cl,3κ3 Cl-[1(η6)-toluene]digallium(III)ruthenium(I)(Ru-Ga)

IUCrData Pub Date : 2024-07-01 DOI: 10.1107/S2414314624006576

Danielle Smith , George N. Harakas

引用次数: 0

(η6-Benzene)chlorido[(S)-2-(4-isopropyl-4,5-dihydrooxazol-2-yl)phenolato]ruthenium(II) (η6-苯)氯化[(S)-2-(4-异丙基-4,5-二氢恶唑-2-基)苯酚]钌(II)

IUCrData Pub Date : 2024-07-01 DOI: 10.1107/S241431462400720X

Monsuru T. Kelani , Alfred Muller , Koop Lammertsma

{"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":"10.1107/S241431462400720X","url":null,"abstract":"<div>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.</div><div>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.<figure><img><ol><li>Download: Download high-res image (307KB)</li><li>Download: Download full-size image</li></ol></figure></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141801748","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

6-[4-(tert-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane 6-[4-(tert-Butyl-dimethyl-sil-yloxy)phen-yl]-1-oxa-spiro-[2.5]hepta-ne.

IUCrData Pub Date : 2024-06-01 DOI: 10.1107/S241431462400590X

Edward A. Wetzel , Sergey Lindeman , William A. Donaldson , W. T. A. Harrison (Editor)

{"title":"6-[4-(tert-Butyldimethylsilyloxy)phenyl]-1-oxaspiro[2.5]heptane","authors":"Edward A. Wetzel , Sergey Lindeman , William A. Donaldson , W. T. A. Harrison (Editor)","doi":"10.1107/S241431462400590X","DOIUrl":"10.1107/S241431462400590X","url":null,"abstract":"<div>In the title compound, the O atom of the epoxide group has a pseudoaxial orientation and the dihedral angle between the cyclohexyl and benzene rings is 85.80 (8)°. The C—O—Si—Ct (t = tert-butyl) torsion angle is −177.40 (14)°. In the crystal, pairwise C—H⋯O links connect the molecules into inversion dimers featuring <figure><img></figure>(8) loops.</div><div>The title compound, C19H30O2Si, has triclinic (P<figure><img></figure>) symmetry at 100 K. The O atom of the epoxide group has a pseudoaxial orientation and the dihedral angle between the cyclohexyl and benzene rings is 85.80 (8)°. The C—O—Si—Ct (t = tert-butyl) torsion angle is −177.40 (14)°. In the crystal, pairwise C—H⋯O links connect the molecules into inversion dimers featuring R22(8) loops.<figure><img><ol><li>Download : Download high-res image (200KB)</li><li>Download : Download full-size image</li></ol></figure></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223687/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141556417","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

Benzene-1,2,4,5-tetrol 苯-1,2,4,5-四醇。

IUCrData Pub Date : 2024-06-01 DOI: 10.1107/S2414314624006126

Benjamin L. Weare , Sean Hoggett , William J. Cull , Stephen P. Argent , Andrei N. Khlobystov , Paul D. Brown , I. Brito (Editor)

引用次数: 0

Bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate 双(8-羟基喹啉)萘-1,5-二磺酸盐四水合物。

IUCrData Pub Date : 2024-06-01 DOI: 10.1107/S2414314624005704

Yusufjon Eshkobilovich Nazarov , Khayit Khudaynazarovich Turaev , Bekmurod Khurramovich Alimnazarov , Jabbor Ruziboevich Suyunov , Gulnora Abdurakhmonovna Umirova , Bakhtiyar Tulyaganovich Ibragimov , Jamshid Mengnorovich Ashurov , M. Weil (Editor)

{"title":"Bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate","authors":"Yusufjon Eshkobilovich Nazarov , Khayit Khudaynazarovich Turaev , Bekmurod Khurramovich Alimnazarov , Jabbor Ruziboevich Suyunov , Gulnora Abdurakhmonovna Umirova , Bakhtiyar Tulyaganovich Ibragimov , Jamshid Mengnorovich Ashurov , M. Weil (Editor)","doi":"10.1107/S2414314624005704","DOIUrl":"10.1107/S2414314624005704","url":null,"abstract":"<div>The crystal structure of the organic salt features classical hydrogen-bonding interactions involving the 8-hydroxyquinolinium cation, the naphthalene-1,5-disulfonate anion and the two water molecules of crystallization.</div><div>The interaction between 8-hydroxyquinoline (8HQ, C9H7NO) and naphthalene-1,5-disulfonic acid (H2NDS, C10H8O6S2) in aqueous media results in the formation of the salt hydrate bis(8-hydroxyquinolinium) naphthalene-1,5-disulfonate tetrahydrate, 2C9H8NO+·C10H6O6S22−·4H2O. The asymmetric unit comprises one protonated 8HQ+ cation, half of an NDS2– dianion symmetrically disposed around a center of inversion, and two water molecules. Within the crystal structure, these components are organized into chains along the [010] and [10<figure><img></figure>] directions through O—H⋯O and N—H⋯O hydrogen-bonding interactions, forming a di-periodic network parallel to (101). Additional stabilizing interactions such as C—H⋯O, C—H⋯π, and π–π interactions extend this arrangement into a tri-periodic network structure<figure><img><ol><li>Download : Download high-res image (240KB)</li><li>Download : Download full-size image</li></ol></figure></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223680/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141556419","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

(2,5-Dimethylimidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate (2,5-二甲基咪唑){N,N′,N′′,N′′′-[卟吩-5,10,15,20-四(2,1-亚苯)]四(吡啶-3-甲酰胺)}锰(II)氯苯二溶剂化物

IUCrData Pub Date : 2024-06-01 DOI: 10.1107/S2414314624004978

Jun Yang , Cuijuan Zhang , Jiaxiang Chu , W. T. A. Harrison (Editor)

{"title":"(2,5-Dimethylimidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate","authors":"Jun Yang , Cuijuan Zhang , Jiaxiang Chu , W. T. A. Harrison (Editor)","doi":"10.1107/S2414314624004978","DOIUrl":"10.1107/S2414314624004978","url":null,"abstract":"<div>In the title compound, the central MnII ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-dimethylimidazole ligand in the apical site. Two chlorobenzene solvent molecules are also present in the asymmetric unit.</div><div>In the title compound, [Mn(C68H44N12O4)(C5H8N2)]·2C6H5Cl, the central MnII ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-dimethylimidazole ligand in the apical site. Two chlorobenzene solvent molecules are also present in the asymmetric unit. Due to the apical imidazole ligand, the Mn atom is displaced out of the 24-atom porphyrin mean plane by 0.66 Å. The average Mn—Np (p = porphyrin) bond length is 2.143 (8) Å, and the axial Mn—NIm (Im = 2,5-dimethylimidazole) bond length is 2.171 (8) Å. The structure displays intermolecular and intramolecular N—H⋯O, N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonding. The crystal studied was refined as a two-component inversion twin.<figure><img><ol><li>Download : Download high-res image (457KB)</li><li>Download : Download full-size image</li></ol></figure></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141267139","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