Acta Crystallographica Section E: Crystallographic Communications最新文献

{"title":"A new hydrated crystalline form of N-[(E)-(4-hy­droxy­phen­yl)methyl­idene]-1H-1,2,4-triazol-3-amine and its anti­fungal activity","authors":"Boualia Boutheina ,&nbsp;Bouhidel Zakaria ,&nbsp;Aouatef Cherouana ,&nbsp;Bendeif El-Eulmi","doi":"10.1107/S205698902401209X","DOIUrl":"10.1107/S205698902401209X","url":null,"abstract":"<div><div>The synthesis, crystal structure, Hirshfeld surface analysis, and anti­fungal assessment of a new monohydrated Schiff base with a triazole moiety are reported.</div></div><div><div>The synthesis, crystal structure, Hirshfeld analysis, and anti­fungal assessment of a new monohydrated Schiff base with a triazole moiety are reported. The structural study revealed the presence of three significant hydrogen bonds (N—H⋯N, O—H⋯N, and O—H⋯O), which contribute to the cohesion of the crystal. These bonds generate two-dimensional layers parallel to the <em>bc</em> plane, built on the basis of rings with the graph-set motifs <em>R</em>⁴₄(8) and <em>R</em>⁴₄(24). The crystal structure is further consolidated by π–π inter­actions between similar rings. The anti­fungal activity of the Schiff base was evaluated against three fungi: <em>Fusarium oxysporum</em>, <em>Botrytis cinerea</em>, and <em>Alternaria alternata</em>, showing significant anti­fungal activity, particularly against <em>Alternaria alternata</em>.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 80-84"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701766/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942467","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 (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13RS,14SR,15SR,16RS)-13-acet­oxy-16-benzyloxy-15-hy­droxy-7-meth­oxy­meth­oxy-3-oxo-11,15,18,18-tetra­methyl-2,4-dioxa­tetra­cyclo[12.3.1.01,5.06,11]octa­decan-10-yl benzoate and its 13-epimer","authors":"Takeshi Oishi ,&nbsp;Keisuke Fukaya ,&nbsp;Takaaki Sato ,&nbsp;Noritaka Chida","doi":"10.1107/S2056989024012234","DOIUrl":"10.1107/S2056989024012234","url":null,"abstract":"<div><div>The crystal structures of a fused tetra­cyclic benzoate and its epimer obtained in synthetic study of Paclitaxel are described. The corresponding ring conformations in both tetra­cycles are similar; however, one epimer shows two orientational disorders and while none occurs for the other. In each crystal, pairs of inter­molecular O—H⋯O hydrogen bonds connect the mol­ecules into inversion dimers. The dimers are further linked by weak inter­molecular C—H⋯O and/or C—H⋯π inter­actions.</div></div><div><div>The title compounds, C₃₈H₄₈O₁₁ (<strong>A</strong> and <strong>B</strong>), are tetra­cyclic benzoates composed of a taxane ring with a fused dioxolane ring as the core skeleton. In compound <strong>A</strong>, the five-membered dioxolane ring is essentially planar while the two cyclo­hexane rings and the cyclo­octane ring adopt chair and chair–chair forms, respectively, and there are three intra­molecular H⋯H short contacts. The corresponding ring conformations in <strong>B</strong> are similar; however, one intra­molecular C—H⋯O inter­action and two H⋯H short contacts are observed, and the benzoyl and meth­oxy­methyl groups show orientational disorder. In the crystal of <strong>A</strong>, a pair of inter­molecular O—H⋯O hydrogen bonds link two mol­ecules into an inversion dimer, and weak inter­molecular C—H⋯O inter­actions connect the dimers, forming a three-dimensional network. In the crystal of <strong>B</strong>, an inversion dimer is similarly generated by a pair of inter­molecular O—H⋯O hydrogen bonds, and weak inter­molecular C—H⋯O and C—H⋯π inter­actions connect the dimers into a three-dimensional architecture.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 74-79"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701762/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942513","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 bis­(acetyl­acetonato-κ2O,O′)(2-amino-1-methyl-1H-benzimidazole-κN3)copper(II)","authors":"Kyzlarkhan Siddikova ,&nbsp;Daminbek Ziyatov ,&nbsp;Akmaljon Tojiboev ,&nbsp;Jamshid Ashurov ,&nbsp;Zukhra Kadirova ,&nbsp;Shahlo Daminova","doi":"10.1107/S2056989024011538","DOIUrl":"10.1107/S2056989024011538","url":null,"abstract":"<div><div>A compound of composition [Cu(C₅H₇O₂)₂(C₈H₉N₃)] was obtained. In the crystal, the Cu^II ion exhibits a square-pyramidal geometry with the ligands (two acetyl­acetone and one 2-amino-1-methyl­benzimidazole). Hirshfeld surface analysis was used to investigate the inter­molecular inter­actions.</div></div><div><div>The title compound, [Cu(C₅H₇O₂)₂(C₈H₉N₃)], crystallizes in the ortho­rhom­bic space group <em>Pnma</em>. In the crystal structure, the Cu^II ion is coordinated by two acetyl­acetonate ligands and one 2-amino-1-methyl-1<em>H</em>-benzimidazole ligand. The crystal structure features intra­molecular N—H⋯O and inter­molecular N—H⋯O hydrogen bonds, which contribute to the overall cohesion of the crystal. Hirshfeld surface analysis and two-dimensional fingerprint plots were utilized to qu­antify the inter­molecular inter­actions, revealing the relative contributions of H⋯H (61.1%), H⋯C/C⋯H (21.3%), and O⋯H/H⋯O (11.3%) contacts to the crystal packing.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 1-5"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701777/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942522","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[bis­(N,O-di­methyl­hydroxyl­ammonium) [di-μ-bromido-di­bromido­stannate(II)]]","authors":"Valerii Y. Sirenko ,&nbsp;Mircea-Odin Apostu ,&nbsp;Irina A. Golenya ,&nbsp;Dina D. Naumova ,&nbsp;Sofiia V. Partsevska","doi":"10.1107/S2056989024012027","DOIUrl":"10.1107/S2056989024012027","url":null,"abstract":"<div><div>The hybrid perovskite (C₂H₈NO)₂[SnBr₄] features polymeric inorganic layers formed by corner-sharing {SnBr₆} octa­hedra, which alternate with the organic cations.</div></div><div><div>The title compound, {(C₂H₈NO)₂[SnBr₄]}_<em>n</em>, is a layered hybrid perovskite crystallizing in the monoclinic space group <em>C</em>2/<em>c</em>. The asymmetric unit consists of one H₃C—O—NH₂⁺—CH₃ cation (Me₂HA⁺), one Sn^II atom located on a twofold rotation axis, and two Br atoms. The Sn^II atom has a distorted octa­hedral coordination environment formed by the bromido ligands. The {SnBr₆} units corner-share their equatorial Br atoms, forming infinite mono-layers that extend parallel to the <em>ab</em> plane. These inorganic layers are sandwiched by the organic Me₂HA⁺ cations organized in double-layers; stacking of the layers is along the <em>c-</em>axis direction. Consecutive inorganic layers, separated by the organic cations, are shifted relative to each other along the <em>b</em>-axis direction. Specifically, the Sn^II atom in one inorganic layer is offset by 3.148 Å along the <em>b</em> axis relative to the Sn^II atom in an adjacent inorganic layer. The <em>N</em>,<em>O</em>-di­methyl­hydroxyl­ammonium cation forms two hydrogen bonds with the axial bromide anions of the inorganic layers as acceptors, and leads to the cohesion of the crystal structure. According to Hirshfeld surface analysis, the highest contributions to the crystal packing are from H⋯H (46.2%), Br⋯H (38.5%), and H⋯O (14.8%) contacts.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 42-46"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701764/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942500","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 properties of catena-poly[[bis­(4-methyl­pyridine-κN)cobalt(II)]-di-μ-thio­cyanato-κ2N:S;κ2S:N], which shows a rare coordination geometry","authors":"Christian Näther ,&nbsp;Jan Boeckmann","doi":"10.1107/S2056989024012003","DOIUrl":"10.1107/S2056989024012003","url":null,"abstract":"<div><div>In the crystal structure of the title compound, Co(NCS)₂(C₆H₇N)₂ (C₆H₇N = 4-methyl­pyridine), the Co^II cations are in an alternating octa­hedral all-<em>trans</em> and <em>cis</em>-<em>cis</em>-<em>trans</em> coordination and linked into corrugated chains by pairs of μ-1,3 bridging thio­cyanate anions.</div></div><div><div>Reaction of Co(NCS)₂ with 4-methyl­pyridine in water leads to the formation of single crystals of the title compound, [Co(NCS)₂(C₆H₇N)₂]_<em>n</em>. The asymmetric unit consists of two crystallographically independent thio­cyanate anions and two crystallographically independent 4-methyl­pyridine coligands in general positions, as well as of two different Co^II cations, of which one is located on a twofold rotational axis, whereas the second occupies a center of inversion. The methyl H atoms in both 4-methyl­pyridine ligands are disordered and were refined using a split model. Both Co^II cations are octa­hedrally coordinated by two N- and two S-bonded thio­cyanate anions and two 4-methyl­pyridine coligands and are linked by pairs of 1,3-bridging anionic ligands into chains. Within these chains the cations show an alternating all-<em>trans</em> and <em>cis</em>–<em>cis</em>–<em>trans</em> configuration, which leads to the formation of corrugated chains. Powder X-ray diffraction proves that a pure crystalline phase has been obtained and the values of the CN stretching vibrations of the anionic ligands observed in the IR and the Raman spectra are in agreement with the presence of bridging anionic ligands.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 58-62"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701768/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942525","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 and Hirshfeld surface analysis of supra­molecular aggregate of 2,2,6,6-tetra­methyl­piperidin-1-ium bromide with 1,2,3,4-tetra­fluoro-5,6-di­iodo­benzene","authors":"Atash V. Gurbanov ,&nbsp;Tuncer Hökelek ,&nbsp;Gunay Z. Mammadova ,&nbsp;Khudayar I. Hasanov ,&nbsp;Tahir A. Javadzade ,&nbsp;Alebel N. Belay","doi":"10.1107/S2056989024011502","DOIUrl":"10.1107/S2056989024011502","url":null,"abstract":"<div><div>The asymmetric unit of the title compound contains one 2,2,6,6 tetra­methyl­piperidine-1-ium cation, one 1,2,3,4-tetra­fluoro-5,6-di­iodo­benzene mol­ecule, and one uncoordinated bromide anion. In the crystal, the bromide anions link the 2,2,6,6-tetra­methyl­piperidine mol­ecules by inter­molecular C—H⋯Br and N—H⋯Br hydrogen bonds, leading to dimers, with the coplanar 1,2,3,4-tetra­fluoro-5, 6-di­iodo­benzene mol­ecules filling the space between them.</div></div><div><div>The asymmetric unit of the title compound, C₉H₂₀N⁺·Br⁻·C₆F₄I₂, contains one 2,2,6,6 tetra­methyl­piperidine-1-ium cation, one 1,2,3,4-tetra­fluoro-5,6-di­iodo­benzene mol­ecule, and one uncoordinated bromide anion. In the crystal, the bromide anions link the 2,2,6,6-tetra­methyl­piperidine mol­ecules by inter­molecular C—H⋯Br and N—H⋯Br hydrogen bonds, leading to dimers, with the coplanar 1,2,3,4-tetra­fluoro-5,6-di­iodo­benzene mol­ecules filling the space between them. There is a π–π interaction between the almost parallel benzene rings [dihedral angle = 10.5 (2)°] with a centroid-to-centroid distance of 3.838 (3) Å and slippage of 1.468 Å. No C—H⋯π(ring) inter­actions are observed. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯F/F⋯H (23.8%), H⋯H (22.6%), H⋯Br/Br⋯H (17.3%) and H⋯I/I⋯H (13.8%) inter­actions. Hydrogen bonding and van der Waals inter­actions are the dominant inter­actions in the crystal packing.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 53-57"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701772/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942493","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 AlPCl8","authors":"Hyeonjin Seo ,&nbsp;Seungyong Shin ,&nbsp;Seung-Tae Hong","doi":"10.1107/S2056989024010661","DOIUrl":"10.1107/S2056989024010661","url":null,"abstract":"<div><div>The crystal structure of aluminium phospho­rus chloride was determined and refined using single-crystal X-ray diffraction data. The compound crystallizes in the ortho­rhom­bic space group <em>Pbcm</em> with the asymmetric unit comprises one Al atom, one P atom, and five Cl atoms. The structure is characterized by isolated AlCl₄ and PCl₄ tetra­hedra, isostructural with FePCl₈ and GaPCl₈.</div></div><div><div>The crystal structure of aluminium phospho­rus chloride (systematic name: phospho­rus tetra­chloride tetra­chloridoa­luminate), (PCl₄)[AlCl₄] or AlPCl₈, was determined and refined using single-crystal X-ray diffraction data. The compound crystallizes in the ortho­rhom­bic space group <em>Pbcm</em>. The asymmetric unit comprises one Al atom, one P atom, and five Cl atoms. The structure is characterized by isolated AlCl₄ and PCl₄ tetra­hedra, isostructural with FePCl₈ and GaPCl₈.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 12","pages":"Pages 1280-1282"},"PeriodicalIF":0.5,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143129412","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 5-methyl-1H-pyrazol-3-yl 4-nitro­benzene­sulfonate at 90 K","authors":"Vinaya ,&nbsp;Syida A. Yakuth ,&nbsp;Thaluru M. Mohan Kumar ,&nbsp;Besagarahally L. Bhaskar ,&nbsp;Thayamma R. Divakara ,&nbsp;Hemmige S. Yathirajan ,&nbsp;Yeriyur B. Basavaraju ,&nbsp;Sean Parkin","doi":"10.1107/S205698902401140X","DOIUrl":"10.1107/S205698902401140X","url":null,"abstract":"<div><div>The synthesis, crystal structure, and a Hirshfeld surface analysis of 5-methyl-1<em>H</em>-pyrazol-3-yl 4-nitro­benzene­sulfonate (C₁₀H₉N₃O₅S), a bioactive compound with pharmacological potential are presented.</div></div><div><div>This study presents the synthesis, crystal structure, and a Hirshfeld-surface analysis of the bioactive compound 5-methyl-1<em>H</em>-pyrazol-3-yl 4-nitro­benzene­sulfonate­(C₁₀H₉N₃O₅S), a pyrazole derivative with pharmacological potential. Pyrazoles are known for diverse bioactivities, and recent research emphasizes their role as a ‘privileged structure’ in drug design. Here, the asymmetric unit of the title compound contains two distinct mol­ecules, <em>A</em> and <em>B</em>, exhibiting differences in conformation resulting from variation in key torsion angles. These distinctions influence the mol­ecular orientation and inter­molecular inter­actions, with strong N—H⋯N and N—H⋯O hydrogen bonds forming a centrosymmetric tetra­mer stabilized by π–π stacking. Hirshfeld surface analysis readily confirms differing inter­molecular contacts for <em>A</em> and <em>B</em>, primarily involving hydrogen atoms and differences in their close contacts to nitro­gen and oxygen. This study offers further insight into the mol­ecular architecture and potential inter­actions of pyrazole-based drug candidates.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 12","pages":"Pages 1354-1358"},"PeriodicalIF":0.5,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143129248","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":"Intra- and inter­molecular C—H⋯F hydrogen bonds in the crystal structure of 1,2-bis­[2-(2,3,4,5-tetra­fluoro­phen­yl)ethyn­yl]benzene","authors":"Eric Bosch ,&nbsp;Nathan P. Bowling","doi":"10.1107/S2056989024010995","DOIUrl":"10.1107/S2056989024010995","url":null,"abstract":"<div><div>The structure of the aryl ethynylene mol­ecule, 1,2-<em>bis</em>-(2,3,4,5-tetra­fluoro­phenyl­ethyn­yl) benzene includes two unique mol­ecules in the unit cell. Both feature intra­molecular <em>sp</em>²-C—H⋯F hydrogen bonds in addition to inter­molecular C—H⋯F hydrogen bonds.</div></div><div><div>The title mol­ecule, C₂₂H₆F₈, crystallizes in the monoclinic space group <em>P</em>2₁/<em>c</em> with two unique mol­ecules in the asymmetric unit and <em>Z</em> = 8. Each mol­ecule features a short intra­molecular <em>sp</em>²-C—H⋯F hydrogen bond with H⋯F separations at 2.363 (14) and 2.270 (14) Å, corresponding to 91 and 87.5% of the sum of the van der Waals radii, and C—H⋯F angles of 158.3 (14) and 166.8 (14)°, respectively. Each mol­ecule also forms an inter­molecular bifurcated CH⋯(F)₂ inter­action with H⋯F distances ranging from 2.500 (16) to 2.597 (17) Å.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 12","pages":"Pages 1298-1301"},"PeriodicalIF":0.5,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143129256","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":"The cadmium oxidotellurates(IV) Cd5(TeO3)4(NO3)2 and Cd4Te5O14","authors":"Felix Eder ,&nbsp;Matthias Weil","doi":"10.1107/S2056989024010387","DOIUrl":"10.1107/S2056989024010387","url":null,"abstract":"<div><div>The crystal structure of Cd₅(TeO₃)₄(NO₃)₂ exhibits a distinct layered arrangement, whereas Cd₄Te₅O₁₄ crystallizes with a framework structure.</div></div><div><div>Monoclinic single crystals of Cd₅(TeO₃)₄(NO₃)₂ (space group <em>P</em>2₁/<em>c</em>), penta­cadmium tetra­kis­[oxidotellurate(IV)] dinitrate, and of Cd₄Te₅O₁₄ (space group <em>C</em>2/<em>c</em>), tetra­cadmium penta­oxidotellurate(IV), were obtained under the same hydro­thermal conditions. Whereas the crystal structure of Cd₅(TeO₃)₄(NO₃)₂ is distinctively layered, that of Cd₄Te₅O₁₄ exhibits a tri-periodic framework. In Cd₅(TeO₃)₄(NO₃)₂, the three Cd^II atoms have coordination numbers (CN) of 7, 6 and 6. The two types of [CdO₆] and the [CdO₇] polyhedra [bond lengths range from 2.179 (3) to 2.658 (2) Å] share corners and edges, resulting in layers extending parallel to (100). Both Te^IV atoms are coordinated by three oxygen atoms in a trigonal–pyramidal shape. The oxygen atoms of the isolated [TeO₃] groups [bond lengths range from 1.847 (3) to 1.886 (3) Å] all are part of the cadmium–oxygen layer. The electron lone pairs ψ of the Te^IV atoms are directed away from the layer on both sides. The available inter­layer space is co-occupied by the nitrate group, which is directly connected with two of its O atoms to the layer whereas the third O atom is solely bonded to the N atom and points towards the adjacent layer. In Cd₄Te₅O₁₄, all three unique Cd^II atoms are coordinated by six oxygen atoms, considering Cd—O distances from 2.235 (2) to 2.539 (2) Å. By edge- and corner-sharing, the distorted [CdO₆] polyhedra form an open framework that is partially filled with three different stereochemically active Te^IV atoms. All of them exhibit a CN of 4, with Te—O bonds in a range from 1.859 (2) to 2.476 (2) Å. The corresponding [TeO₄] units are linked to each other by corner- and edge-sharing, forming infinite helical ¹_∞[Te₁₀O₂₈] chains extending parallel to [203]. The connectivity in the chains can be described as (⋯–⋄–⋄=⋄–⋄–⋄–⋄–⋄=⋄–⋄–⋄–⋯)_<em>n</em> where ‘⋄’ denotes a [TeO₄] unit, ‘–’ a linkage <em>via</em> corners and ‘=’ a linkage <em>via</em> edges. Such a structural motif is unprecedented in the crystal chemistry of oxidotellurate(IV) compounds.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 12","pages":"Pages 1244-1249"},"PeriodicalIF":0.5,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143129258","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}