Acta Crystallographica Section E: Crystallographic Communications最新文献

{"title":"Synthesis, crystal structure and Hirshfeld surface analysis of a new copper(II) complex based on diethyl 2,2′-(4H-1,2,4-triazole-3,5-di­yl)di­acetate","authors":"Oleksandr S. Vynohradov ,&nbsp;Oleksandr V. Vashchenko ,&nbsp;Dmytro M. Khomenko ,&nbsp;Roman O. Doroshchuk ,&nbsp;Ilona V. Raspertova ,&nbsp;Rostyslav D. Lampeka ,&nbsp;Alexandru-Constantin Stoica","doi":"10.1107/S2056989024008259","DOIUrl":"10.1107/S2056989024008259","url":null,"abstract":"<div><p>The synthesis and crystal structure of a new dinuclear copper(II) complex based on ethyl 2,2′-(1<em>H</em>-1,2,4-triazole-3,5-di­yl)-di­acetate is reported. Additionally, the results of a Hirshfeld surface analysis of [Cu₂(C₆H₅N₃O₄)₂(H₂O)₄]·2H₂O are described.</p></div><div><p>The title compound, bis­[μ-2,2′-(4<em>H</em>-1,2,4-triazole-3,5-di­yl)di­acetato]­bis­[di­aqua­copper(II)] dihydrate, [Cu₂(C₆H₅N₃O₄)₂(H₂O)₄]·2H₂O, is a dinuclear octa­hedral Cu^II triazole-based complex. The central copper atoms are hexa-coordinated by two nitro­gen atoms in the equatorial positions, two equatorial oxygen atoms of two carboxyl­ate substituents in position 3 and 5 of the 1,2,4-triazole ring, and two axial oxygen atoms of two water mol­ecules. Two additional solvent water mol­ecules are linked to the title mol­ecule by O—H⋯N and O⋯H—O hydrogen bonds. The crystal structure is built up from the parallel packing of discrete supra­molecular chains running along the <em>a</em>-axis direction. Hirshfeld surface analysis suggests that the most important contributions to the surface contacts are from H⋯O/O⋯H (53.5%), H⋯H (28.1%), O⋯O (6.3%) and H⋯C/C⋯H (6.2%) inter­actions. The crystal studied was twinned by a twofold rotation around [100].</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 9","pages":"Pages 976-980"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150491","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}

{"title":"Color center creation by dipole stacking in crystals of 2-meth­oxy-5-nitro­aniline","authors":"Jonathan Filley","doi":"10.1107/S2056989024008739","DOIUrl":"10.1107/S2056989024008739","url":null,"abstract":"<div><div>The title compound 2-meth­oxy-5-nitro­aniline forms orange–red crystals and displays shifts in light absorption to longer wavelengths in solution as the concentration increases. Mol­ecular face-to-face stacking with dipoles oriented anti­parallel creates a color center, which is compared to certain inorganic semiconductors.</div></div><div><div>This work describes the X-ray structure of orange–red crystals of 2-meth­oxy-5-nitro­aniline, C₇H₈N₂O₃. The compound displays concentration-dependent UV-Vis spectra, which is attributed to dipole-induced aggregation, and light absorption arising from an inter­molecular charge-transfer process that decreases in energy as the degree of aggregation increases. The crystals display π-stacking where the dipole moments align anti­parallel. Stacked mol­ecules inter­act with the next stack <em>via</em> hydrogen bonds, which is a state of maximum aggregation. Light absorption by charge transfer can be compared to colored inorganic semiconductors such as orange–red CdS, with a band gap of 2.0–2.5 eV.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 10","pages":"Pages 1003-1005"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451495/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142379868","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}

{"title":"Crystal structure of propane-1,3-diaminium squarate dihydrate","authors":"Rüdiger W. Seidel ,&nbsp;Tsonko M. Kolev","doi":"10.1107/S2056989024008235","DOIUrl":"10.1107/S2056989024008235","url":null,"abstract":"<div><p>The crystal structure of propane-1,3-diaminium squarate dihydrate (space group <em>P</em>4<em>bm</em>, <em>Z</em> = 2) features a triperiodic N—H⋯O and O—H⋯O hydrogen-bond network with a polar <em>c</em> axis.</p></div><div><p>Propane-1,3-diaminium squarate dihydrate, C₃H₁₂N₂²⁺·C₄O₄²⁻·2H₂O, results from the proton-transfer reaction of propane-1,3-di­amine with squaric acid and subsequent crystallization from aqueous medium. The title compound crystallizes in the tetra­gonal crystal system (space group <em>P</em>4<em>bm</em>) with <em>Z</em> = 2. The squarate dianion belongs to the point group <em>D</em>_{4 h} and contains a crystallographic fourfold axis. The propane-1,3-diaminium dication exhibits a <em>C</em>_{2 v}-symmetric all-<em>anti</em> conformation and resides on a special position with <em>mm</em>2 site symmetry. The orientation of the propane-1,3-diaminium ions makes the crystal structure polar in the <em>c-</em>axis direction. The solid-state supra­molecular structure features a triperiodic network of strong hydrogen bonds of the N—H⋯O and O—H⋯O types.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 9","pages":"Pages 973-975"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150490","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}

{"title":"Synthesis, crystal structure and Hirshfeld surface analysis of [Cu(H2L)2(μ-Cl)CuCl3]·H2O [H2L = 2-hy­droxy-N′-(propan-2-yl­idene)benzohydrazide]","authors":"Imededdine Boulguemh ,&nbsp;Asma Lehleh ,&nbsp;Chahrazed Beghidja ,&nbsp;Adel Beghidja","doi":"10.1107/S2056989024007941","DOIUrl":"10.1107/S2056989024007941","url":null,"abstract":"<div><p>The synthesis and structural characterization of a dinuclear Cu^II complex, [tri­chlorido­copper(II)]-μ-chlorido-{bis­[2-hy­droxy-<em>N</em>′-(propan-2-yl­idene)benzohydrazide]copper(II)} monohydrate, [Cu₂Cl₄(C₁₀H₁₂N₂O₂)₂]·H₂O or [Cu(H₂L)₂(μ-Cl)CuCl₃]·H₂O is reported</p></div><div><p>The present study focuses on the synthesis and structural characterization of a novel dinuclear Cu^II complex, [tri­chlorido­copper(II)]-μ-chlorido-{bis­[2-hy­droxy-<em>N</em>′-(propan-2-yl­idene)benzohydrazide]copper(II)} monohydrate, [Cu₂Cl₄(C₁₀H₁₂N₂O₂)₂]·H₂O or [Cu(H₂<em>L</em>)₂(μ-Cl)CuCl₃]·H₂O [H₂<em>L</em> = 2-hy­droxy-<em>N</em>′-(propan-2-yl­idene)benzohydrazide]. The complex crystallizes in the monoclinic space group <em>P</em>2₁/<em>n</em> with one mol­ecule of water, which forms inter­actions with the ligands. The first copper ion is penta-coordinated to two benzohydrazine-derived ligands <em>via</em> two nitro­gen and two oxygen atoms, and one bridging chloride, which is also coordinated by the second copper ion alongside three terminal chlorines in a distorted tetra­hedral geometry. The arrangement around the first copper ion exhibits a distorted geometry inter­mediate between trigonal bipyramidal and square pyramidal. In the crystal, chains are formed <em>via</em> inter­molecular inter­actions along the <em>a-</em>axis direction, with subsequent layers constructed through hydrogen-bonding inter­actions parallel to the <em>ac</em> plane, and through slipped π–π stacking inter­actions parallel to the <em>ab</em> plane, resulting in a three-dimensional network. The inter­molecular inter­actions in the crystal structure were qu­anti­fied and analysed using Hirshfeld surface analysis. Residual electron density from disordered methanol mol­ecules in the void space could not be reasonably modelled, thus a solvent mask was applied.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 9","pages":"Pages 961-966"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150488","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}

{"title":"Crystal structure of a tris(2-amino­eth­yl)methane capped carbamoyl­methyl­phosphine oxide compound","authors":"Brandon G. Wackerle ,&nbsp;Eric J. Werner ,&nbsp;Richard J. Staples ,&nbsp;Shannon M. Biros","doi":"10.1107/S2056989024008478","DOIUrl":"10.1107/S2056989024008478","url":null,"abstract":"<div><p>The crystal structure of the compound described here features both C—H⋯O and N—H⋯O intra­molecular hydrogen bonds, as well as a myriad of inter­molecular C—H⋯O hydrogen-bonding inter­actions.</p></div><div><p>The mol­ecular structure of the tripodal carbamoyl­methyl­phosphine oxide compound diethyl {[(5-[2-(di­eth­oxy­phosphor­yl)acetamido]-3-{2-[2-(di­eth­oxy­phos­phor­yl)acetamido]­eth­yl}pent­yl)carbamo­yl]meth­yl}phospho­nate, C₂₅H₅₂N₃O₁₂P₃, features six intra­molecular hydrogen-bonding inter­actions. The phospho­nate groups have key bond lengths ranging from 1.4696 (12) to 1.4729 (12) Å (P=O), 1.5681 (11) to 1.5811 (12) Å (P—O) and 1.7881 (16) to 1.7936 (16) Å (P—C). Each amide group adopts a nearly perfect <em>trans</em> geometry, and the geometry around each phophorus atom resembles a slightly distorted tetra­hedron.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 9","pages":"Pages 993-996"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150494","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}

{"title":"Crystal structure of Staudtienic acid, a diterpenoid from Staudtia kamerunensis Warb. (Myristicaceae)","authors":"Jordan Tonga Lembe ,&nbsp;Precious Mokgadi Mphahlele ,&nbsp;Michael Hermann Kamdem Kengne ,&nbsp;Pangaman Jiyane ,&nbsp;Marthe Carine Djuidje Fotsing ,&nbsp;Charmaine Ardene ,&nbsp;Edwin Mpho Mmutlane ,&nbsp;Derek Tantoh Ndinteh","doi":"10.1107/S2056989024005000","DOIUrl":"10.1107/S2056989024005000","url":null,"abstract":"<div><p>This work presents the crystal structure of a natural diterpenoid, Staudtienic acid, isolated from the stem bark of <em>Staudtia kamerunensis</em> Warb (Myristicaceae). This work confirmed the results previously obtained from NOE spectroscopy.</p></div><div><p>This title compound, C₂₀H₂₆O₂, was isolated from the benzene fraction of the stem bark of <em>Staudtia kamerunensis</em> Warb. (Myristicaceae) using column chromatography techniques over silica gel. The compound was fully characterized by single-crystal X-ray diffraction, one and two-dimensional NMR spectroscopy, IR and MS spectrometry. The compound has two fused cyclo­hexane rings attached to a benzene ring, with a carb­oxy­lic acid on C-4. This cyclo­hexene ring has a chair conformation while the other adopts a half-chair conformation. The benzene ring is substituted with a propenyl moiety. The structure is characterized by inter­molecular O—H⋯O hydrogen bonds, two C—H⋯O intra­molecular hydrogen bonds and two C—H⋯π inter­actions. The mol­ecular structure confirms previous studies carried out by spectroscopic techniques.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 8","pages":"Pages 878-881"},"PeriodicalIF":0.5,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11299748/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141896453","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}

{"title":"Structural determination of oleanane-28,13β-olide and taraxerane-28,14β-olide fluoro­lactonization products from the reaction of oleanolic acid with SelectfluorTM","authors":"Megan A. Eadsforth ,&nbsp;Linghan Kong ,&nbsp;George Whitehead ,&nbsp;Iñigo J. Vitórica-Yrezábal ,&nbsp;Raymond T. O’Keefe ,&nbsp;Richard A. Bryce ,&nbsp;Roger C. Whitehead","doi":"10.1107/S2056989024006480","DOIUrl":"10.1107/S2056989024006480","url":null,"abstract":"<div><p>X-ray analysis and structure determination of fluoro­lactonization products from the reaction of oleanolic acid with Selectfluor^TM are reported.</p></div><div><p>The X-ray crystal structure data of 12-α-fluoro-3β-hy­droxy­olean-28,13β-olide methanol hemisolvate, 2C₃₀H₄₇FO₃·CH₃OH, (<strong>1</strong>), and 12-α-fluoro-3β-hy­droxy­taraxer-28,14β-olide methanol hemisolvate, 2C₃₀H₄₇FO₃·CH₃OH, (<strong>2</strong>), are described. The fluoro­lactonization of oleanolic acid using Selectfluor^TM yielded a mixture of the six-membered δ-lactone (<strong>1</strong>) and the unusual seven-membered γ-lactone (<strong>2</strong>) following a 1,2-shift of methyl C-27 from C-14 to C-13.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 8","pages":"Pages 857-862"},"PeriodicalIF":0.5,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141647711","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}

{"title":"Crystal structures of four thio­glycosides involving carbamimido­thio­ate groups","authors":"Mamdouh A. Abu-Zaied ,&nbsp;Galal A. Nawwar ,&nbsp;Galal H. Elgemeie ,&nbsp;Peter G. Jones","doi":"10.1107/S2056989024006455","DOIUrl":"10.1107/S2056989024006455","url":null,"abstract":"<div><p>The structures of the four thio­glycosides, all <em>Z</em>-configured across the C=N(CN) moiety, differ in many important torsion angles. The C—N bond lengths at the central carbon atom of the carbamimido­thio­ate group are almost equal. Three of the four structures form layers by hydrogen bonding.</p></div><div><p>The compounds 2′,3′,4′,6′-tetra-<em>O</em>-acetyl-β-<span>d</span>-gluco­pyranosyl <em>N</em>′-cyano-<em>N</em>-phenyl­carbamimido­thio­ate (C₂₂H₂₅N₃O₉S, <strong>5a</strong>), 2′,3′,4′,6′-tetra-<em>O</em>-acetyl-β-<span>d</span>-galacto­pyranosyl <em>N</em>′-cyano-<em>N-</em>phenyl­carbamimido­thio­ate, (C₂₂H₂₅N₃O₉S, <strong>5b</strong>), 2′,3′,4′,6′-tetra-<em>O</em>-acetyl-β-<span>d</span>-galacto­pyranosyl <em>N</em>′-cyano-<em>N</em>-methyl­carbamimido­thio­ate (C₁₇H₂₃N₃O₉S, <strong>5c</strong>), and 2′,3′,4′,6′-tetra-<em>O</em>-acetyl-β-<span>d</span>-galacto­pyranosyl <em>N</em>′-cyano-<em>N</em>-<em>p</em>-tolyl­carbamimido­thio­ate (C₂₃H₂₇N₃O₉S, <strong>5d</strong>) all crystallize in <em>P</em>2₁2₁2₁ with <em>Z</em> = 4. For all four structures, the configuration across the central (formal) C=N(CN) double bond of the carbamimido­thio­ate group is <em>Z</em>. The torsion angles C5—O1—C1—S (standard sugar numbering) are all close to 180°, confirming the β position of the substituent. Compound <strong>5b</strong> involves an intra­molecular hydrogen bond N—H⋯O1; in <strong>5c</strong> this contact is the weaker branch of a three-centre inter­action, whereas in <strong>5a</strong> and <strong>5d</strong> the H⋯O distances are much longer and do not represent significant inter­actions. The C—N bond lengths at the central carbon atom of the carbamimido­thio­ate group are almost equal. All C—O—C=O torsion angles of the acetyl groups correspond to a synperiplanar geometry, but otherwise all four mol­ecules display a high degree of conformational flexibility, with many widely differing torsion angles for equivalent groups. In the crystal packing, <strong>5a</strong>, <strong>5c</strong> and <strong>5d</strong> form layer structures involving the classical hydrogen bond N—H⋯N_cyano and a variety of ‘weak’ hydrogen bonds C—H⋯O or C—H⋯S. The packing of <strong>5b</strong> is almost featureless and involves a large number of borderline ‘weak’ hydrogen bonds. In an appendix, a potted history of wavelength preferences for structure determination is presented and it is recommended that, even for small organic crystals in non-centrosymmetric space groups, the use of Mo radiation should be considered.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 8","pages":"Pages 829-839"},"PeriodicalIF":0.5,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141664506","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}

{"title":"Crystal structure of 4-bromo-5,7-dimeth­oxy-2,3-di­hydro-1H-inden-1-one","authors":"Sri Hari Galla ,&nbsp;Jayalakshmi Sridhar ,&nbsp;Joel T. Mague ,&nbsp;Xiaodong Zhang ,&nbsp;Kira D. White ,&nbsp;Qiang Zhang ,&nbsp;James P. Donahue","doi":"10.1107/S2056989024006522","DOIUrl":"10.1107/S2056989024006522","url":null,"abstract":"<div><p>In the title mol­ecule, C₁₁H₁₁BrO₃, the di­hydro­indene moiety is essentially planar but with a slight twist in the saturated portion of the five-membered ring. The meth­oxy groups lie close to the above plane. In the crystal, π-stacking inter­actions between six-membered rings form stacks of mol­ecules extending along the <em>a-</em>axis directions, which are linked by weak C—H⋯O and C—H⋯Br hydrogen bonds.</p></div><div><p>In the title mol­ecule, C₁₁H₁₁BrO₃, the di­hydro­indene moiety is essentially planar but with a slight twist in the saturated portion of the five-membered ring. The meth­oxy groups lie close to the above plane. In the crystal, π-stacking inter­actions between six-membered rings form stacks of mol­ecules extending along the <em>a-</em>axis direction, which are linked by weak C—H⋯O and C—H⋯Br hydrogen bonds. A Hirshfeld surface analysis was performed showing H⋯H, O⋯H/H⋯O and Br⋯H/H⋯Br contacts make the largest contributions to inter­molecular inter­actions in the crystal.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 8","pages":"Pages 873-877"},"PeriodicalIF":0.5,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141822121","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}

{"title":"Crystal structure of catena-poly[[methanoldioxidouranium(VI)]-μ-2-[5-(2-oxidophen­yl)-1H-1,2,4-triazol-3-yl]acetato-κ2O:O′]","authors":"Oleksandr V. Vashchenko ,&nbsp;Dmytro M. Khomenko ,&nbsp;Roman O. Doroshchuk ,&nbsp;Alexandru-Constantin Stoica ,&nbsp;Olga Yu. Vassilyeva ,&nbsp;Rostyslav D. Lampeka","doi":"10.1107/S2056989024006637","DOIUrl":"10.1107/S2056989024006637","url":null,"abstract":"<div><p>In [UO₂<em>L</em>(CH₃OH)]_n, the acetate group of the 1,2,4-triazol-based ligand bridges two uranyl cations, forming a neutral zigzag chain. A solid-state LMCT transition at 463 nm is responsible for the light-red colour of the compound.</p></div><div><p>In the title complex, [U(C₁₀H₇N₃O₃)O₂(CH₃OH)]_n, the U^VI cation has a typical penta­gonal–bipyramidal environment with the equatorial plane defined by one N and two O atoms of one doubly deprotonated 2-[5-(2-hy­droxy­phen­yl)-1<em>H</em>-1,2,4-triazol-3-yl]acetic acid ligand, a carboxyl­ate O atom of the symmetry-related ligand and the O atom of the methanol mol­ecule [U—N/O_eq 2.256 (4)–2.504 (5) Å]. The axial positions are occupied by two oxide O atoms. The equatorial atoms are almost coplanar, with the largest deviation from the mean plane being 0.121 Å for one of the O atoms. The benzene and triazole rings of the tetra­dentate chelating–bridging ligand are twisted by approximately 21.6 (2)° with respect to each other. The carboxyl­ate group of the ligand bridges two uranyl cations, forming a neutral zigzag chain reinforced by a strong O—H⋯O hydrogen bond. In the crystal, adjacent chains are linked into two-dimensional sheets parallel to the <em>ac</em> plane by C/N—H⋯N/O hydrogen bonding and π–π inter­actions. Further weak C—H⋯O contacts consolidate the three-dimensional supra­molecular architecture. In the solid state, the compound shows a broad medium intensity LMCT transition centred around 463 nm, which is responsible for its red colour.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 8","pages":"Pages 852-856"},"PeriodicalIF":0.5,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141654709","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}