IUCrData最新文献_第6页

Poly[[bis(μ4-acetato-κ4O:O:O′:O′)tetrakis(μ3-acetato-κ3O:O:O′)bis(μ2-acetato-κ2O:O′)bis(μ3-hydroxido)pentanickel(II)] 2.60-hydrate] Poly [[(a) -(μ4-acetato -κ4:或:奥奥)tetra-kis: -(μ3-acetato -κ3奥):或:(a) -(μ2-acetato -κ2或奥):(a) -(μ3-hydroxido) penta-nickel (II) 2 . 60-hydrate]。

IUCrData Pub Date : 2025-02-01 DOI: 10.1107/S2414314625000823

Maximilian Pfeiffer , Berthold Stöger , Matthias Weil

{"title":"Poly[[bis(μ4-acetato-κ4O:O:O′:O′)tetrakis(μ3-acetato-κ3O:O:O′)bis(μ2-acetato-κ2O:O′)bis(μ3-hydroxido)pentanickel(II)] 2.60-hydrate]","authors":"Maximilian Pfeiffer , Berthold Stöger , Matthias Weil","doi":"10.1107/S2414314625000823","DOIUrl":"10.1107/S2414314625000823","url":null,"abstract":"<div><div>The basic nickel acetate [Ni5(OAc)8(OH)2]·2.60H2O crystallizes in a polymeric framework structure with all three unique nickel cations in octahedral coordination by O atoms.</div></div><div><div>The title compound, {[Ni5(C2H3O2)8(OH)2]·2.60H2O}n or [Ni5(OAc)8(OH)2]·2.60H2O (OAc is the acetate anion, C2H3O2), represents a hydrated basic acetate. Its asymmetric unit comprises half of the formula unit, with one of the three unique NiII cations situated at an inversion centre. The NiII atoms are in octahedral coordination environments by O atoms of the acetato ligands and by the basic OH group. The different kinds of bridging modes (μ2, 2×μ3, and μ4 for the acetato ligands; μ3 for the OH group) lead to the formation of a framework structure with hydrophobic channels extending parallel to the main crystallographic axes. Disordered water molecules are situated in pockets close to the OH groups and are held in place by hydrogen-bonding interactions.<figure><img><ol><li>Download: Download high-res image (325KB)</li><li>Download: Download full-size image</li></ol></figure></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11904630/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143653102","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

2,2′-[(4-Butoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) 2, 2’- [(4-But-oxy-phen-yl) methyl-ene] bis (3-hy-droxy-5 5-di-methyl-cyclo-hex-2-en-1-one)。

IUCrData Pub Date : 2025-02-01 DOI: 10.1107/S2414314625001804

N. Suresh Babu , S. Anbu Chudar Azhagan , B. Loganathan , V. Sughanya , J. Ayyappan

{"title":"2,2′-[(4-Butoxyphenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","authors":"N. Suresh Babu , S. Anbu Chudar Azhagan , B. Loganathan , V. Sughanya , J. Ayyappan","doi":"10.1107/S2414314625001804","DOIUrl":"10.1107/S2414314625001804","url":null,"abstract":"<div><div>In the title compound, C27H36O5, both the cyclohexenone rings adopt envelope conformations.</div></div><div><div>In the title compound, C27H36O5, the dihedral angles between the planes of the benzene ring and the cyclohexenone rings are 60.87 (10) and 65.04 (10)°, while the dihedral angle between the mean planes of the two cyclohexenone rings is 39.33 (10)°. Each cyclohexenone ring has a carbon atom bonded to two methyl groups, which acts as the flap atom, resulting in an envelope conformation. The opposite orientation of the hydroxy and carbonyl oxygen atoms allows for the formation of two intramolecular O—H⋯O hydrogen bonds and C—H⋯π (ring) interactions also help to establish the molecular conformation.<figure><img><ol><li>Download: Download high-res image (219KB)</li><li>Download: Download full-size image</li></ol></figure></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11904627/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143653097","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-(4-tert-Butylbenzyl)-1-neopentyl-1,2,4-triazolium bromide (4) - 4-tert-Butyl-benz-yl 1-neopentyl-1 2 4-triazolium溴离子。

IUCrData Pub Date : 2025-02-01 DOI: 10.1107/S2414314625000926

Daniel R. Albert , Michael Gau , Edward Rajaseelan

引用次数: 0

Acetyl α-d-2,3,4-triacetyllyxopyranoside 乙酰基αd2的3 4-tri-acetyl-lyxo-pyran-oside。

IUCrData Pub Date : 2025-01-01 DOI: 10.1107/S2414314625000161

Shawn Culver , Jonathan S. Rhoad

引用次数: 0

Pyridin-1-ium carboxyformate–2-chloroacetic acid (1/1) 吡啶-1-碳氧甲酸-2-氯乙酸（1/1）。

IUCrData Pub Date : 2025-01-01 DOI: 10.1107/S2414314624012422

Nurlana D. Sadikhova , Farida M. Muradova , Narmina A. Guliyeva , Khudayar I. Hasanov , Tahir A. Javadzade , Ennio Zangrando , Alebel N. Belay

{"title":"Pyridin-1-ium carboxyformate–2-chloroacetic acid (1/1)","authors":"Nurlana D. Sadikhova , Farida M. Muradova , Narmina A. Guliyeva , Khudayar I. Hasanov , Tahir A. Javadzade , Ennio Zangrando , Alebel N. Belay","doi":"10.1107/S2414314624012422","DOIUrl":"10.1107/S2414314624012422","url":null,"abstract":"<div><div>A salt co-crystal comprising pyridin-1-ium carboxyformate and 2-chloroacetic acid is stabilized by conventional and charge-assisted hydrogen bonds within a one-dimensional chain.</div></div><div><div>The asymmetric unit of the title salt co-crystal, C5H6N+·C2HO4−·C2H3ClO2, comprises a pyridinium cation, a carboxyformate anion and a 2-chloroacetic acid molecule. In the crystal, the components are connected by hydrogen bonds within a one-dimensional chain in the a-axis direction which incorporates rather short, charge-assisted O—H⋯O hydrogen bonds; the pyridinium-NH group forms bifurcated N—H⋯(O,O) hydrogen bonds of different strength.<figure><img><ol><li>Download: Download high-res image (209KB)</li><li>Download: Download full-size image</li></ol></figure></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11799782/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143384643","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

(η6-Benzene)chlorido[2-(pyridin-2-yl)quinoline-κ2N,N′]ruthenium(II) tetrafluoridoborate （η - 6-苯）-氯化-[2-（吡啶-2-基）喹啉-κ2 N，N']钌（II）四氟硼酸盐。

IUCrData Pub Date : 2025-01-01 DOI: 10.1107/S2414314624012409

Manikandan Varadhan , Ibanpynhunlang Passi , Thangaraja Chinnathangavel , Venugopal Rajendiran

{"title":"(η6-Benzene)chlorido[2-(pyridin-2-yl)quinoline-κ2N,N′]ruthenium(II) tetrafluoridoborate","authors":"Manikandan Varadhan , Ibanpynhunlang Passi , Thangaraja Chinnathangavel , Venugopal Rajendiran","doi":"10.1107/S2414314624012409","DOIUrl":"10.1107/S2414314624012409","url":null,"abstract":"<div><div>The coordination environment around RuII is best described as pseudo-octahedral, resembling the familiar half-sandwich ‘three-legged piano-stool’ structure.</div></div><div><div>The title compound, [RuCl(C6H6)(C14H10N2)]BF4 or [Ru(η6-benzene)(L)Cl]+BF4− [where L denotes the 2-(pyridin-2-yl)quinoline ligand], crystallizes in the monoclinic space group P21/c. The coordination environment around RuII is best described as pseudo-octahedral, resembling the familiar half-sandwich ‘three-legged piano-stool’ shape. In the coordination sphere, the η6-binding benzene ligand coordinates with the central RuII atom occupying the ‘seat’ of the stool with a metal-to-centroid distance of 1.695 (17) Å, while the chelate ligand L coordinates with its N atoms and, together with the Cl ligand, defines the ‘legs’ of the stool. Apart from Coulombic forces, C—H⋯F and C—H⋯Cl hydrogen-bonding interactions consolidate the crystal packing.<figure><img><ol><li>Download: Download high-res image (382KB)</li><li>Download: Download full-size image</li></ol></figure></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11799777/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143384634","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

Methyl 2-amino-4-(morpholin-4-yl)benzo[d]thiazole-6-carboxylate tetartohydrate 甲基2-氨基-4-（morpholin-4-酰基）苯并[d]噻唑-6-羧酸四水化合物。

IUCrData Pub Date : 2025-01-01 DOI: 10.1107/S2414314624012495

Erik Uran , Andrej Emanuel Cotman , Matic Lozinšek

引用次数: 0

4-Chlorocurcumin 4-Chloro-curcumin。

IUCrData Pub Date : 2025-01-01 DOI: 10.1107/S2414314624012434

Phuong-Truc T. Pham , Mamoun M. Bader

引用次数: 0

Di-tert-butyldiisothiocyanatotin(IV) Di-tert-butyl-diiso-thio-cyanato-tin (IV)。

IUCrData Pub Date : 2025-01-01 DOI: 10.1107/S2414314624012446

Anne Kamrowski , Hans Reuter

{"title":"Di-tert-butyldiisothiocyanatotin(IV)","authors":"Anne Kamrowski , Hans Reuter","doi":"10.1107/S2414314624012446","DOIUrl":"10.1107/S2414314624012446","url":null,"abstract":"<div><div>Di-tert-butyldiisothiocyanatotin(IV), tBu2Sn(NCS)2, exhibits a new kind of intermolecular association via Sn⋯S interactions resulting in an antiparallel, zigzag arrangement of the molecular dipole moments. The chain-like structure motif is classified as Am2c according to its structure determining symmetry elements.</div></div><div><div>The title compound, [Sn(C4H9)2(NCS)2], which crystallizes with one and a half molecules in the asymmetric unit, represents a new structure type for intermolecular sulfur⋯tin interactions, which is characterized by an antiparallel (A) arrangement of the dipole moments of the individual molecules. In the resulting zigzag chains, the molecules are related to each other by mirror planes (m) and twofold rotation axes (2), both perpendicular to the propagation plane, while translation is realized via a glide plane in direction of the crystallographic c axis, a combination of symmetry elements unique in the structural chemistry of diorganotin(IV) dihalides and pseudohalides, R2SnX2 with X = Hal or NCS. Its characteristics are subsumed in the term Am2c for this kind of intermolecular association pattern. The tilting of the NSnN-planes in relation to the propagation plane is described in terms of spherical coordinates.<figure><img><ol><li>Download: Download high-res image (200KB)</li><li>Download: Download full-size image</li></ol></figure></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11799781/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143384640","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

Tetraphenylglycolide tetrahydrofuran monosolvate 四苯基乙醇酸四氢呋喃单溶剂化物。

IUCrData Pub Date : 2025-01-01 DOI: 10.1107/S2414314624012410

Lubabalo Ndima , Eric Cyriel Hosten , Richard Betz

引用次数: 0