Acta Crystallographica Section E: Crystallographic Communications最新文献

{"title":"Syntheses, structures and anti­cancer activities of CuII and ZnII complexes containing 1,1′-[(3-fluoro­phen­yl)methyl­ene]bis­[3-(3-fluoro­phen­yl)imidazo[1,5-a]pyridine]","authors":"Hai Le Thi Hong ,&nbsp;Hau Nguyen Van ,&nbsp;Duong Hoang Tuan ,&nbsp;Hung Tran Quang ,&nbsp;Tuan Dang Thanh ,&nbsp;Luc Van Meervelt","doi":"10.1107/S2056989024011617","DOIUrl":"10.1107/S2056989024011617","url":null,"abstract":"<div><div>The Cu^II and Zn^II complexes containing 1,1′-[(3-fluoro­phen­yl)methyl­ene]bis­[3-(3-fluoro­phen­yl)imidazo[1,5-<em>a</em>]pyridine] show potential as cancer treatment agents. The crystal-structure determination of the Cu^II complex confirms a distorted tetra­hedral N₂Cl₂ coordination set for the Cu^II atom.</div></div><div><div>Two novel complexes, [Cu(<strong>T4</strong>)Cl₂] and [Zn(<strong>T4</strong>)Cl₂], were synthesized from 1,1′-[(3-fluoro­phen­yl)methyl­ene]bis­[3-(3-fluoro­phen­yl)imidazo[1,5-<em>a</em>]pyridine] (<strong>T4</strong>), and copper(II) and zinc(II) chloride, respectively. The structures of these complexes were confirmed using ESI-MS, IR and ¹H NMR spectra. The results reveal mononuclear structures in which the central metal atoms are coordinated by two N atoms from the imidazole rings and two Cl ligands. The structure of the <strong>CuT4</strong> complex [systematic name: di­chlorido­{1,1′-[(3-fluoro­phen­yl)methyl­ene]bis­[3-(3-fluoro­phen­yl)imidazo[1,5-<em>a</em>]pyridine]-κ²<em>N</em>,<em>N</em>′}copper(II), [CuCl₂(C₃₃H₂₁F₃N₄)], was confirmed by single-crystal X-ray diffraction. The Cu^II atom adopts a distorted tetra­hedral coordination environment with an N₂Cl₂ coordination set. The predominant features of the crystal packing are C—H⋯F, C—H⋯π and C—F⋯π inter­actions. Biological evaluations demonstrated that both complexes exhibit enhanced anti­cancer activity compared to the free ligand, with IC₅₀ values ranging between 18.93 and 67.06 µ<em>M</em>. Notably, the Cu^II complex displays excellent inhibitory activity against the MCF7 breast cancer cell line (IC₅₀ = 27.99 µ<em>M</em>), approximately twice as effective as cisplatin. Conversely, the <strong>ZnT4</strong> complex shows greater efficacy against Hep-G2 and A549 lung cancer cell lines, with IC₅₀ values between 18.93 and 24.83 µ<em>M</em>. The results suggest that Cu^II and Zn^II complexes of <strong>T4</strong> show potential as cancer treatment agents.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 47-52"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701767/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942516","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 N-(4-nitro­phen­yl)-2-(piperidin-1-yl)acetamide (lidocaine analogue)","authors":"Imane Maimoune ,&nbsp;Benson M. Kariuki ,&nbsp;Abderrazzak El Moutaouakil Ala Allah ,&nbsp;Intissar Nchioua ,&nbsp;Abdulsalam Alsubari ,&nbsp;Joel T. Mague ,&nbsp;Abdelkader Zarrouk ,&nbsp;Youssef Ramli","doi":"10.1107/S205698902401185X","DOIUrl":"10.1107/S205698902401185X","url":null,"abstract":"<div><div>The substituents on the phenyl ring are rotated slightly out of the mean plane of the ring while the piperidine moiety is nearly perpendicular to that plane. In the crystal, C—H⋯O hydrogen bonds form chains of mol­ecules extending along the <em>c</em>-axis direction, which are linked by C=O⋯π(ring) inter­actions. A Hirshfeld surface analysis showed the majority of inter­molecular inter­actions to be H⋯H contacts while O⋯H/H⋯O contacts are the second most numerous.</div></div><div><div>In the title mol­ecule, C₁₃H₁₇N₃O₃, the substituents on the phenyl ring are rotated slightly out of the mean plane of the ring but the piperidine moiety is nearly perpendicular to that plane. In the crystal, C—H⋯O hydrogen bonds form chains of mol­ecules extending along the <em>c</em>-axis direction, which are linked by C=O⋯π(ring) inter­actions. A Hirshfeld surface analysis showed the majority of inter­molecular inter­actions to be H⋯H contacts while O⋯H/H⋯O contacts are the second most numerous.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 69-73"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701775/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942470","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 and crystal structure of anti-10-(4-cyano­phen­yl)-10,11,22,23-tetra­hydro-9H,21H-5,8:15,12-bis­(metheno)[1,5,11]tri­aza­cyclo­hexadecino[1,16-a:5,6-a′]di­indole di­chloro­methane monosolvate","authors":"Koji Kubono ,&nbsp;Keita Tani ,&nbsp;Yukiyasu Kashiwagi","doi":"10.1107/S2056989024011782","DOIUrl":"10.1107/S2056989024011782","url":null,"abstract":"<div><div>The title compound consists of one <em>anti</em>-4-(1⁹<em>H</em>,5⁹<em>H</em>-3-aza-1,5(3,9)-dicarbazola­cyclo­octa­phane-3-yl)benzo­nitrile (host mol­ecule) and one di­chloro­methane solvate mol­ecule. The host mol­ecule adopts an <em>anti</em> configuration, in which two carbazole rings are partially overlapped, forming an intra­molecular π–π inter­action. In the crystal, the mol­ecules are cross-linked <em>via</em> inter­molecular host–host and host–guest C—H⋯π inter­actions, forming a three-dimensional network.</div></div><div><div>The asymmetric unit of the title compound is composed of one host mol­ecule, <em>anti</em>-4-(1⁹<em>H</em>,5⁹<em>H</em>-3-aza-1,5(3,9)-dicarbazola­cyclo­octa­phane-3-yl)benzo­nitrile and one di­chloro­methane solvate mol­ecule, C₃₆H₂₈N₄·CH₂Cl₂. The host mol­ecule possesses a planar chirality but crystallizes as a racemate in the space group <em>P</em>2₁/<em>c</em>. It adopts an <em>anti</em>-configuration, in which two carbazole rings are partially overlapped with a parallel orientation. The two carbazole ring systems are slightly bent, and the C atoms at the 3- and 1-positions show the largest deviations from the mean planes. The dihedral angle between two carbazole rings is 9.42 (3)°, forming an intra­molecular parallel π–π inter­action [<em>Cg</em>⋯<em>Cg</em> = 3.2755 (9) Å]. In the crystal, the mol­ecules are linked <em>via</em> host–host and host–guest C—H⋯π inter­actions, forming chain structures along the <em>a</em>-axis direction. The mol­ecules are linked into a ribbon structure along the <em>c-</em>axis direction by further C—H⋯π inter­actions. As a result, The mol­ecules are cross-linked by C—H⋯π inter­actions into a three-dimensional network.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 20-23"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701771/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942519","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":"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}