Acta Crystallographica Section E: Crystallographic Communications最新文献

{"title":"Synthesis, structure, catalytic and cytotoxic activities of chlorido­(5-nitro­quinolin-8-olato-κ2N,O)(tri­cyclo­hexyl­phosphine-κP)platinum(II)","authors":"Nguyen Thi Thanh Chi ,&nbsp;Nguyen Tran Huong Ly ,&nbsp;Doan Duc Hieu ,&nbsp;Luc Van Meervelt","doi":"10.1107/S2056989025005766","DOIUrl":"10.1107/S2056989025005766","url":null,"abstract":"<div><div>In the title square-planar complex, the P atom of the tri­cyclo­hexyl­phosphine group coordinates to the metal atom in the <em>trans</em> position compared to the coordinating N atom. The complex shows significant catalytic ability and selectivity for hydro­silylation between phenyl­acetyl­ene and tri­ethyl­silane.</div></div><div><div>The title complex, [Pt(C₁₀H₅N₂O₃)Cl(C₁₈H₃₃P)], was synthesized by the reaction of [PtCl(C₁₀H₅N₂O₃)(η²-C₂H₄)] and PCy₃ at room temperature for 2 h with a yield of 80%. The deprotonated 5-nitro­quinoline-8-ol (C₁₀H₅N₂O₃⁻) anion coordinates to the metal atom in a bidentate mode <em>via</em> its N and O atoms with a N—Pt—O bite angle of 80.0 (3)°. The tri­cyclo­hexyl­phosphine P atom is in a <em>trans</em> position with respect to the N atom in the square-planar coordination environment of the metal atom. The packing features zigzag chains linked by C—H⋯O inter­actions and continuous channels occupied by disordered solvent mol­ecules, both running in the <em>a</em>-axis direction. The complex shows weak activity against four cancer cell lines with IC₅₀ values &gt; 120 µ<em>M</em>, but significant catalytic ability and selectivity for hydro­silylation between phenyl­acetyl­ene and tri­ethyl­silane.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 657-661"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Syntheses and crystal structures of three tri­phenyl­sulfonium salts of manganese(II), iron(III) and cobalt(II)","authors":"Waylan Callaway ,&nbsp;Matthew Elterman ,&nbsp;Nikita Krasilnikov ,&nbsp;Gavin Roberts ,&nbsp;Davis Rutan ,&nbsp;Ty Spencer ,&nbsp;Clifford W. Padgett ,&nbsp;Will E. Lynch","doi":"10.1107/S2056989025006668","DOIUrl":"10.1107/S2056989025006668","url":null,"abstract":"<div><div>The crystal structures of three salts of the tri­phenyl­sulfonium cation, C₁₈H₁₅S⁺, namely bis­(tri­phenyl­sulfonium) tetra­chlorido­manganate(II), tri­phenyl­sulfonium tetra­chlorido­ferrate(III) and bis­(tri­phenyl­sulfonium) tetra­chlorido­cobaltate(II) are reported.</div></div><div><div>Bis(tri­phenyl­sulfonium) tetra­chlorido­manganate(II), (C₁₈H₁₅S)₂[MnCl₄] (<strong>I</strong>), tri­phenyl­sulfonium tetra­chlorido­ferrate(III), (C₁₈H₁₅S)[FeCl₄] (<strong>II</strong>), and bis­(tri­phenyl­sulfonium) tetra­chlorido­cobaltate(II), (C₁₈H₁₅S)₂[CoCl₄] (<strong>III</strong>), crystallize in the monoclinic space groups <em>P</em>2₁/<em>n</em> [(<strong>I</strong>) and (<strong>III</strong>)] and <em>P</em>2₁/<em>c</em> [(<strong>II</strong>)]. Compounds (<strong>I</strong>) and (<strong>III</strong>) each contain two crystallographically independent tri­phenyl­sulfonium (TPS⁺) cations in the asymmetric unit, whereas (<strong>II</strong>) has one. In all three compounds, the sulfonium centers adopt distorted trigonal–pyramidal geometries, with S—C bond lengths falling roughly in the 1.78–1.79 Å range and C—S—C angles observed at about 101 to 106°. The [<em>M</em>Cl₄]^{<em>n</em>−} anions (<em>M</em> = Mn²⁺, Fe³⁺, Co²⁺; <em>n</em> = 2,1,2) adopt slightly distorted tetra­hedral geometries, with <em>M</em>—Cl bond lengths in the 2.19–2.38 Å range and Cl—<em>M</em>—Cl angles of approximately 104–113°. Hirshfeld surface analyses shows that H⋯H and H⋯C contacts dominate the TPS⁺ cation environments, whereas H⋯Cl and short <em>M</em>—S inter­actions link each [<em>M</em>Cl₄]^{<em>n</em>−} anion to the surrounding cations. In (<strong>I</strong>) and (<strong>III</strong>), inversion-centered π–π stacking further consolidates the crystal packing, while in (<strong>II</strong>) no π–π inter­actions are observed.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 770-775"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797965","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Whole-mol­ecule disorder of the heterometallic complex di­aqua-1κ2O-di­chlorido-2κ2Cl-(μ-2-formyl-6-meth­oxy­phenolato-1κ2O1,O2:2κO6){μ-2-meth­oxy-6-[(methyl­imino)­meth­yl]phenolato-1κ2N,O1:2κO6}lead(II)nickel(II)","authors":"Olga Yu. Vassilyeva ,&nbsp;Vladimir N. Kokozay ,&nbsp;Evgeny Goreshnik","doi":"10.1107/S2056989025005857","DOIUrl":"10.1107/S2056989025005857","url":null,"abstract":"<div><div>In the crystal the title compound exhibits full-mol­ecule disorder [occupancy ratio 0.711 (6): 0.289 (6)], generated by a false twofold rotation about the shorter, Ni–Pb, axis of the mol­ecule.</div></div><div><div>The new mol­ecular complex [NiPb(C₉H₁₀NO₂)(C₈H₇NO₃)Cl₂(H₂O)₂] with the Schiff base 2-meth­oxy-6-[(methyl­imino)­meth­yl]phenol and <em>ortho</em>-vanillin ligands, both deprotonated, crystallizes in the monoclinic space group <em>P</em>2₁/<em>c</em> with one mol­ecule per asymmetric unit. The heterometallic mol­ecule exhibits a whole-mol­ecule orientational disorder [occupancy ratio 0.711 (6): 0.289 (6)] about a pseudo-twofold rotation axis that roughly bis­ects the mol­ecule along the Ni–Pb axis. The Ni centre coordination is distorted octa­hedral [Ni—N/O_eq = 1.996 (8)–2.021 (7) Å, major component] with two water mol­ecules in the apexes [2.088 (6) and 2.090 (5) Å]. The Pb atom is six-coordinate in a highly distorted tetra­gonal–bipyramidal geometry. Two phenolato and two methoxo O atoms from the deprotonated ligand moieties are nearly coplanar with the metal centre [Pb–O 2.301 (8)–2.740 (10) Å, major component], while the two chlorides are located on opposite sides of the plane [Pb—Cl = 2.821 (5) and 2.868 (5) Å]. The Ni–Pb pair of metals is bridged by two phenolato O atoms enabling a metal–metal separation of 3.441 (3)/3.477 (7) Å. Two intra­molecular O–H⋯Cl hydrogen bonds between coordinated aqua and chloride ligands appear to be a reason for the Cl–Pb–Cl and O–Ni–O angles being far from 180°. In the solid state, the well-separated heterometallic mol­ecules are inter­linked by π–π stacking and weak O—H⋯Cl and C—H⋯Cl/O hydrogen bonds. The mol­ecules show no significant inter­molecular inter­actions: the minimal <em>M</em>⋯<em>M</em> distance in the crystal is about 7.65 Å (Ni⋯Pb).</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 667-671"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystal structure of 4-(3,5-dimethyl-1,7-diphenyl-1,7-di­hydro­dipyrazolo­[3,4-b:4′,3′-e]pyridin-4-yl)phenol dimethyl sulfoxide disolvate","authors":"N’gandi N’gaza ,&nbsp;Erwann Jeanneau ,&nbsp;Catherine Marestin ,&nbsp;Regis Mercier","doi":"10.1107/S2056989025006152","DOIUrl":"10.1107/S2056989025006152","url":null,"abstract":"<div><div>The mol­ecular and crystal structure of the novel compound 4-(3,5-Dimethyl-1,7-diphenyl-1,7-di­hydro­dipyrazolo­[3,4 − b:4′,3′-e]pyridin-4-yl)phenol are reported.</div></div><div><div>A new bis­pyrazolyl­pyridine­(BPP)-containing derivative, namely, 4-(3,5-di­meth­yl-1,7-diphenyl-1,7-di­hydro­dipyrazolo­[3,4-<em>b</em>:4′,3′-<em>e</em>]pyridin-4-yl)phenol (<strong>1</strong>), C₂₇H₂₁N₅O·2C₂H₆OS, has been synthesized by a Hantzsch multicomponent reaction using acetic acid (AcOH) as solvent and copper(II) acetate monohydrate [Cu(OAc)₂·H₂O] as mild oxidant. The structure of the compound was fully characterized by single-crystal X-ray diffraction. The crystallographic study shows that the mol­ecule crystallizes in the triclinic system with space group <em>P</em>1, with one mol­ecule per asymmetric unit. Whereas the phenolic substituent in the <em>para</em> position of the pyridine group is highly twisted from the planar bis­pyrazolo­pyridine core [56.19 (4)°], the two phenyl rings present on the nitro­gen atoms are only slightly distorted [11.77 (5) and 29.17 (5)°]. The crystal structure is consolidated by inter­molecular C—H⋯O hydrogen bonds and π–π stacking inter­actions.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 711-713"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystallographic and spectroscopic characterization of 2-bromo-p-tolu­aldehyde","authors":"Eden E. Lanham ,&nbsp;Joseph M. Tanski","doi":"10.1107/S2056989025006127","DOIUrl":"10.1107/S2056989025006127","url":null,"abstract":"<div><div>The mol­ecule of the title halogenated benzaldehyde derivative contains an aldehyde moiety, <em>ortho</em> bromine, and <em>para</em> methyl group. Packing <em>via</em> van der Waals forces, the mol­ecules are arranged with both offset face-to-face and an edge-to-face π-stacking inter­action revealed by Hirshfeld surface characterization.</div></div><div><div>The title compound (systematic name: 2-bromo-4-methyl­benzaldehyde), C₈H₇BrO, is a halogenated benzaldehyde derivative. The mol­ecule contains an aldehyde moiety, <em>ortho</em> bromine, and <em>para</em> methyl group. Packing <em>via</em> van der Waals forces, the mol­ecules are arranged with both offset face-to-face and an edge-to-face π-stacking inter­action revealed by Hirshfeld surface characterization.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 744-747"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797960","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and crystal structures of 6- and 8-methyl-3-phenyl­benzo[e][1,2,4]triazines","authors":"Christos P. Constantinides ,&nbsp;Syed Raza ,&nbsp;Fadwat Bazzi ,&nbsp;Nisreen Sharara ,&nbsp;Simona Marincean","doi":"10.1107/S2056989025005882","DOIUrl":"10.1107/S2056989025005882","url":null,"abstract":"<div><div>The crystal structures of two Blatter radical precursors, 6-methyl-3-phenyl­benzo[<em>e</em>][1,2,4]triazine and 8-methyl-3-phenyl­benzo[<em>e</em>][1,2,4]triazine, exhibit extended conjugated heteroaromatic frameworks, with unidimensional columnar arrangements governed by π–π stacking inter­actions with little impact from the methyl substituent position on the core geometry.</div></div><div><div>The synthesis and single-crystal X-ray structures of two regioisomeric Blatter radical precursors, 6-methyl-3-phenyl­benzo[<em>e</em>][1,2,4]triazine, (<strong>I</strong>), and 8-methyl-3-phenyl­benzo[<em>e</em>][1,2,4]triazine (<strong>II</strong>), C₁₄H₁₁N₃, are reported. Both compounds feature planar heteroaromatic frameworks with extensive π-conjugation across the benzo[<em>e</em>][1,2,4]triazine core. Compound <strong>I</strong> crystallizes in the ortho­rhom­bic space group <em>Pbca</em>, while <strong>II</strong> adopts the monoclinic space group <em>P</em>2₁/<em>c</em>. Structural analysis reveals nearly identical bond lengths and angles across both isomers, indicating minimal influence of methyl substitution on core geometry. Supra­molecular features are dominated by π–π stacking inter­actions, leading to one-dimensional columnar arrangements. Compound <strong>I</strong> exhibits alternating dimers with slippage in both stacking directions and forms hydrogen-bonded chains that generate dense, wave-like sheets. Compound <strong>II</strong> displays uniform stacking with regular inter­planar distances and pronounced translational overlap. These structural insights contribute to understanding how regioisomeric substitution patterns influence the solid-state organization of Blatter radical precursors, with implications for their application in mol­ecular electronics and spin materials.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 699-705"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797902","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and crystal structure of a new isomer of poly[di-μ3-cyanido-μ-2,6-di­methyl­pyrazine-dicopper(I)]","authors":"Christian Näther","doi":"10.1107/S2056989025006267","DOIUrl":"10.1107/S2056989025006267","url":null,"abstract":"<div><div>In the crystal structure of the title compound, the copper(I) cations are linked by the cyanide anions into layers that are additionally connected by the 2,6-di­methyl­pyrazine ligands into a 3D network. The title compound represents a new isomer of Cu₂(CN)₂(2,6-di­methyl­pyrazine), which has already been reported in the literature.</div></div><div><div>The title compound, [Cu₂(CN)₂(C₆H₈N₂)]_<em>n</em> or Cu₂(CN)₂(2,6-di­methyl­pyrazine), was prepared by the reaction of copper(I) cyanide with 2,6-di­methyl­pyrazine in water. Its asymmetric unit consists of two crystallographically independent copper(I) cations and cyanide anions as well as one crystallographically independent 2,6-di­methyl­pyrazine ligand in general positions. Each copper cation is fourfold coordinated by one N atom of the 2,6-di­methyl­pyrazine ligand and three cyanide anions, that are disordered so that each C and N position has mixed occupancy with a ratio between N and C of 94:6 and 77:23. The copper cations are linked by the cyanide atoms into layers that are further connected into a 3D network by the 2,6-di­methyl­pyrazine ligands. Powder X-ray diffraction (PXRD) proves that a pure crystalline phase has been obtained. It is noted that this crystal structure represents a new isomer of Cu₂(CN)₂(2,6-di­methyl­pyrazine), which has already been reported in the literature [Chesnut <em>et al.</em> (2001<span><span>#</span></span>). <em>J. Chem. Soc. Dalton Trans</em>. pp. 2567–2580].</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 714-717"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797966","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystal structure and Hirshfeld surface analysis of (E)-1-{2,2-di­bromo-1-[4-(tert-but­yl)phen­yl]ethen­yl}-2-(3,4-di­methyl­phen­yl)diazene","authors":"Namig G. Shikhaliyev ,&nbsp;Jonathan Cisterna ,&nbsp;Ayten M. Gajar ,&nbsp;Ayten A. Niyazova ,&nbsp;Ali N. Khalilov ,&nbsp;Victor N. Khrustalev ,&nbsp;Alebel N. Belay ,&nbsp;Abel M. Maharramov","doi":"10.1107/S2056989025005390","DOIUrl":"10.1107/S2056989025005390","url":null,"abstract":"<div><div>The title azo compound crystallizes in the triclinic space group <em>P</em>1 with two independent mol­ecules in the asymmetric unit. Hirshfeld surface analysis and energy framework calculations revealed key non-covalent inter­actions such as C—H⋯π, C—H⋯Br, π–π stacking, and halogen bonding, which consolidate the crystal structure.</div></div><div><div>The title azo compound, C₂₀H₂₂Br₂N₂, crystallizes in the triclinic space group <em>P</em>1 (No. 2) with two independent mol­ecules in the asymmetric unit. The mol­ecular structure was analyzed using spectroscopic and crystallographic techniques, confirming the expected configuration and electronic environment. Hirshfeld surface analysis revealed key non-covalent inter­actions such as C—H⋯π, C—H⋯Br, π–π stacking, and halogen bonding, which consolidate the crystal structure. The study provides valuable insights into the structural features and inter­molecular inter­actions of this brominated azo compound, which may have potential applications in optoelectronic materials, dyes, and mol­ecular switches.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 662-666"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797953","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, crystal structure and thermal properties of N′-[(E)-3,5-di-tert-butyl-2-hy­droxy­benzyl­idene]-2-hy­droxy­benzohydrazide ethanol quatersolvate","authors":"Mamadou Lo ,&nbsp;Bineta Sene ,&nbsp;Anastasie Manga ,&nbsp;Aissatou Alioune Gaye ,&nbsp;Abdoulaye Gassama ,&nbsp;Amadou Diop ,&nbsp;Arie van der Lee ,&nbsp;Sébastien Richeter","doi":"10.1107/S2056989025006504","DOIUrl":"10.1107/S2056989025006504","url":null,"abstract":"<div><div>The structure of the title compound, 4C₂₂H₂₈N₂O₃·C₂H₆O, exhibits a one-dimensional pore structure composed of channels formed by mol­ecules having an acyl­hydrazone segment connecting a 3,5-di-<em>tert</em>-butyl­phenol unit and a 2-hy­droxy­phenol unit. The channels contain disordered ethanol mol­ecules.</div></div><div><div>In the structure of the title compound, 4C₂₂H₂₈N₂O₃·C₂H₆O, mol­ecules composed of an acyl­hydrazone segment bridging a 3,5-di-<em>tert</em>-butyl­phenol unit and a 2-hy­droxy­phenol unit form columnar quartet channels along the <em>a</em>-axis, within which disordered ethanol solvent mol­ecules reside in two inversion-centre-related positions. Inter­molecular hydrogen bonds assemble the channels between the columnar mol­ecules through the hosted ethanol mol­ecule, complemented by weaker van der Waals-type inter­actions. These weak van der Waals inter­actions also hold the columns together. Additionally, the title compound demonstrated notable thermal stability at temperatures of up to 251°C. The sharp melting point peak observed in the DSC confirmed its crystalline structure.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 733-737"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797904","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, crystal structure, and Hirshfeld surface analysis of undeca­carbon­yl{tris­[4-(methyl­sulfan­yl)phen­yl]arsine}-triangulo-triosmium(0)","authors":"Siti Syaida Sirat ,&nbsp;Mohd Mustaqim Rosli ,&nbsp;Sang Loon Tan ,&nbsp;Ibrahim Abdul Razak ,&nbsp;Omar bin Shawkataly","doi":"10.1107/S2056989025006541","DOIUrl":"10.1107/S2056989025006541","url":null,"abstract":"<div><div>The title compound comprises a triangle of Os atoms, two of which are bonded to four carbonyl ligands. The third Os atom is bound to three carbonyl ligands, and the arsine ligand [As(C₆H₄SCH₃)₃] occupies the equatorial position. In the crystal, the mol­ecules are linked by C—H⋯O hydrogen bonds.</div></div><div><div>The title compound, [Os₃(C₂₁H₂₁AsS₃)(CO)₁₁] or [Os₃{As(C₆H₄SCH₃)₃}(CO)₁₁], comprises a triangle of Os atoms, two of which are bonded to four carbonyl ligands. The third Os atom is bound to three carbonyl ligands, and the arsine ligand [As(C₆H₄SCH₃)₃] occupies the equatorial position. In the crystal, the mol­ecules are linked by C—H⋯O hydrogen bonds. To further analyse the inter­molecular inter­actions, a Hirshfeld surface analysis was performed. Two out of the three methyl­sulfanyl groups are disordered over two sites with final refinement occupancy ratios of 0.612 (12):0.388 (12) and 0.620 (9):0.380 (9).</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 765-769"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797905","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}