Acta Crystallographica Section E: Crystallographic Communications最新文献

{"title":"Synthesis, crystal structure and Hirshfeld surface analysis of 3-ethyl-2-(methyl­sulfan­yl)-5,5-diphenyl-3H-imidazol-4(5H)-one (Thio­phenytoin analogue)","authors":"Abderrazzak El Moutaouakil Ala Allah ,&nbsp;Chiara Massera ,&nbsp;Walid Guerrab ,&nbsp;Abdulsalam Alsubari ,&nbsp;Joel T. Mague ,&nbsp;Youssef Ramli","doi":"10.1107/S205698902500698X","DOIUrl":"10.1107/S205698902500698X","url":null,"abstract":"<div><div>The mol­ecular and crystal structures of 3-ethyl-2-(methyl­sulfan­yl)-5,5-diphenyl-3<em>H</em>-imidazol-4(5<em>H</em>)-one were determined and compared with the structures of similar mol­ecules obtained from the CSD. Inter­molecular inter­actions were further examined through a Hirshfeld surface analysis.</div></div><div><div>In the title mol­ecule, 3-ethyl-2-(methyl­sulfan­yl)-5,5-diphenyl-3<em>H</em>-imidazol-4(5<em>H</em>)-one, C₁₈H₁₈N₂OS, the two substituent phenyl rings are inclined of 59.50 (7) and 83.53 (8)° with respect to the plane of the five-membered ring. The <em>S</em>-methyl group lies in this plane while the ethyl group is nearly perpendicular to it. In the crystal, weak C—H⋯O hydrogen bonds form inversion dimers, which pack <em>via</em> conventional van der Waals contacts. A Hirshfeld surface analysis was performed, showing the predominance of H⋯H and C⋯H/H⋯C contacts.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 9","pages":"Pages 801-805"},"PeriodicalIF":0.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145013698","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":"Two crystal structures of copper(II) complexes and adducts based on the neutral N1,N1-dimethyl-N2-(pyridin-2-ylmeth­yl)ethane-1,2-di­amine ligand","authors":"Basam M. Alzoubi ,&nbsp;Carola Schulzke","doi":"10.1107/S2056989025006000","DOIUrl":"10.1107/S2056989025006000","url":null,"abstract":"<div><div>Two crystal structures of copper(II) complexes with a tridentate ligand are reported, new [Cu(N^N^N)(H₂O)Cl][Cu(N^N^N)Cl₂][CuCl₄] and already known [Cu(N^N^N)(NCS)₂]·0.3 H₂O, (N^N^N = <em>N¹</em>,<em>N¹</em>-dimethyl-<em>N²</em>-(pyridin-2-ylmeth­yl)ethane-1,2-di­amine), which exhibit a considerable range of inter­molecular inter­actions and notable packing patterns that are being discussed.</div></div><div><div>From the reaction of copper(II) chloride dihydrate with <em>N</em>¹,<em>N</em>¹-dimethyl-<em>N</em>²-(pyridin-2-ylmeth­yl)ethane-1,2-di­amine (denoted N^N^N) a new species comprising three distinct complexes crystallized, namely, aqua­chlorido­[<em>N</em>¹,<em>N</em>¹-dimethyl-<em>N</em>²-(pyridin-2-ylmeth­yl)ethane-1,2-di­amine-κ³<em>N</em>,<em>N</em>′,<em>N</em>′′]copper(II)chlorido­[<em>N</em>¹,<em>N</em>¹-dimethyl-<em>N</em>²-(pyridin-2-ylmeth­yl)ethane-1,2-di­amine-κ³<em>N</em>,<em>N</em>′,<em>N</em>′′]copper(II) tetra­chlorido­cuprate(II), [CuCl(C₁₀H₁₇N₃)(H₂O)][CuCl(C₁₀H₁₇N₃)][CuCl₄] or [Cu(N^N^N)(H₂O)Cl][Cu(N^N^N)Cl₂][CuCl₄], the latter two of which form an adduct. This complex was reacted with ammonium thio­cyanate to form [Cu(N^N^N)(NCS)₂], which crystallized with two independent mol­ecules and a partial water in the asymmetric unit very similarly to the already reported structure of this compound. Both crystal structures show a rather complex set of inter­molecular inter­actions including hydrogen bonding and what may be described as chalcogen bonding, pnictogen bonding and/or coinage bonding. The mol­ecular structures, intra­molecular inter­actions and packing patterns are discussed in detail and the more unusual ones are set into the context of structures available in the literature.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 676-683"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797907","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":"A flexible MOF formed from CuII and 2,3-di­hydroxy­terephthalic acid","authors":"Russell M. Main ,&nbsp;Aidan P. McKay ,&nbsp;Russell E. Morris","doi":"10.1107/S205698902500653X","DOIUrl":"10.1107/S205698902500653X","url":null,"abstract":"<div><div>The crystal structures of a flexible metal–organic framework based on Cu^II and 2,3-dhtp in different states of solvation are reported.</div></div><div><div>Metal–organic frameworks (MOFs) are an exciting class of porous materials with applications in many fields. To find the optimal MOF for every application it is important to synthesize new materials to find those with the desirable properties. Here we present a MOF based on Cu^II and 2,3-di­hydroxy­terephthalate, whose structure in both fully solvated and partially desolvated forms, namely, poly[[tri­aqua­(μ-2,3-di­hydroxy­terephthalato)(μ-2,3-dioxido­terephthalato)tricopper(II)] monohydrate], {[Cu₃(C₈H₂O₆)(C₈H₄O₆)(H₂O)₃]·H₂O}_<em>n</em>, and poly[[di­aqua­(μ-2,3-di­hydroxy­terephthalato)(μ-2,3-dioxidoterephthalato)tricopper(II)] ethanol monosolvate monohydrate] {[Cu₃(C₈H₂O₆)(C₈H₄O₆)(H₂O)₂]·C₂H₅OH·H₂O}_<em>n</em>, has been solved with single-crystal X-ray diffraction. It shows one-dimensional hexa­gonal channels and a flexible behaviour in response to changes in solvation.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 738-743"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797951","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 4-methyl-N-[2-(5-methyl­furan-2-yl)phen­yl]-N-[(5-phenyl­furan-2-yl)meth­yl]benzene­sulfonamide","authors":"Selbi Annadurdyyeva ,&nbsp;Anastasia E. Levina ,&nbsp;Victor N. Khrustalev ,&nbsp;Roya Z. Nazarova ,&nbsp;Khudayar I. Hasanov ,&nbsp;Nurlana D. Sadikhova ,&nbsp;Mehmet Akkurt ,&nbsp;Gizachew Mulugeta Manahelohe","doi":"10.1107/S2056989025006231","DOIUrl":"10.1107/S2056989025006231","url":null,"abstract":"<div><div>In the crystal, mol­ecules are linked by C—H⋯O inter­actions, forming layers parallel to the (100) plane. In addition, π–π [centroid-to-centroid distance = 3.4961 (7) Å] and C—H⋯π inter­actions connect mol­ecules within the layers. The layers are also bound to each other by van der Waals inter­actions.</div></div><div><div>In the title compound, C₂₉H₂₅NO₄S, the mol­ecular conformation is stable with intra­molecular C—H⋯O and C—H⋯N inter­actions being observed. In the crystal, mol­ecules are linked by C—H⋯O inter­actions, forming layers parallel to the (100) plane. In addition, π–π [centroid-to-centroid distance = 3.4961 (7) Å] and C—H⋯π inter­actions connect the mol­ecules within the layers. The layers are also bound to each other by van der Waals inter­actions. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (53.2%), C⋯H/H⋯C (28.9%) and O⋯H/H⋯O (13.8%) contacts.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 706-710"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797956","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 structures of trans-di­bromido­bis­(3,5-lutidine)gold(III) tribromide and three 3,5-lutidinium salts containing tetra­bromido­aurate(III) anions (including three cases of polymorphism)","authors":"Cindy Döring ,&nbsp;Peter G. Jones","doi":"10.1107/S2056989025006401","DOIUrl":"10.1107/S2056989025006401","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Mol­ecular structures and packing diagrams of four systems involving 3,5-lutidine and gold(III) centres are analysed in terms of hydrogen bonds, halogen bonds, coinage bonds and stacking inter­actions.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;div&gt;&lt;em&gt;trans&lt;/em&gt;-Di­bromido­bis­(3,5-lutidine)gold(III) tribromide, [AuBr&lt;sub&gt;2&lt;/sub&gt;(C&lt;sub&gt;7&lt;/sub&gt;H&lt;sub&gt;9&lt;/sub&gt;N)&lt;sub&gt;2&lt;/sub&gt;](Br&lt;sub&gt;3&lt;/sub&gt;) or [(3,5-Lut)&lt;sub&gt;2&lt;/sub&gt;AuBr&lt;sub&gt;2&lt;/sub&gt;](Br&lt;sub&gt;3&lt;/sub&gt;), &lt;strong&gt;1&lt;/strong&gt;, polymorph &lt;strong&gt;a&lt;/strong&gt;, crystallizes in the space group &lt;em&gt;P&lt;/em&gt;1 with &lt;em&gt;Z&lt;/em&gt; = 1. The gold atom and the central bromine of the tribromide ion lie on inversion centres. Polymorph &lt;strong&gt;b&lt;/strong&gt; crystallizes in &lt;em&gt;C&lt;/em&gt;222&lt;sub&gt;1&lt;/sub&gt; with &lt;em&gt;Z&lt;/em&gt; = 4. The gold atom, the nitro­gen atoms and the ring atoms at the 4-position of the lutidine ligands, and the central bromine of the tribromide ion all lie on twofold axes. The formula units of &lt;strong&gt;1a&lt;/strong&gt; and &lt;strong&gt;1b&lt;/strong&gt; are closely similar (including the relative orientations of anion and cation). 3,5-Lutidinium tetra­bromido­aurate(III), (C&lt;sub&gt;7&lt;/sub&gt;H&lt;sub&gt;10&lt;/sub&gt;N)[AuBr&lt;sub&gt;4&lt;/sub&gt;] or (3,5-LutH)[AuBr&lt;sub&gt;4&lt;/sub&gt;], &lt;strong&gt;2&lt;/strong&gt;, crystallizes as a new polymorph in &lt;em&gt;P&lt;/em&gt;3&lt;sub&gt;2&lt;/sub&gt; with &lt;em&gt;Z&lt;/em&gt; = 3. Bis(3,5-lutidinium) tetra­bromido­aurate(III) bromide, (C&lt;sub&gt;7&lt;/sub&gt;H&lt;sub&gt;10&lt;/sub&gt;N)&lt;sub&gt;2&lt;/sub&gt;[AuBr&lt;sub&gt;4&lt;/sub&gt;]Br or (3,5-LutH)&lt;sub&gt;2&lt;/sub&gt;[AuBr&lt;sub&gt;4&lt;/sub&gt;]Br, &lt;strong&gt;3&lt;/strong&gt;, polymorph &lt;strong&gt;a&lt;/strong&gt;, crystallizes in &lt;em&gt;C&lt;/em&gt;2/&lt;em&gt;c&lt;/em&gt; with &lt;em&gt;Z&lt;/em&gt; = 4. The gold atom lies on an inversion centre and the bromide ion on a twofold axis. Polymorph &lt;strong&gt;b&lt;/strong&gt; crystallizes in &lt;em&gt;P&lt;/em&gt;2&lt;sub&gt;1&lt;/sub&gt;/&lt;em&gt;c&lt;/em&gt; with &lt;em&gt;Z&lt;/em&gt; = 8 (&lt;em&gt;Z&lt;/em&gt;′ = 2) and all atoms on general positions. Tris(3,5-lutidinium) bis­[tetra­bromido­aurate(III)] bromide, (C&lt;sub&gt;7&lt;/sub&gt;H&lt;sub&gt;10&lt;/sub&gt;N)&lt;sub&gt;3&lt;/sub&gt;[AuBr&lt;sub&gt;4&lt;/sub&gt;]&lt;sub&gt;2&lt;/sub&gt;Br or (3,5-LutH)&lt;sub&gt;3&lt;/sub&gt;[AuBr&lt;sub&gt;4&lt;/sub&gt;]&lt;sub&gt;2&lt;/sub&gt;Br, &lt;strong&gt;4&lt;/strong&gt;, crystallizes in &lt;em&gt;P&lt;/em&gt;1 with &lt;em&gt;Z&lt;/em&gt; = 2. One gold atom lies on a general position and two on inversion centres. The main inter­est centres on the crystal packing patterns. In structure &lt;strong&gt;1a&lt;/strong&gt;, a short Au⋯Br&lt;sub&gt;anion&lt;/sub&gt; contact, presumably a ‘coinage bond’, combines with a ‘weak’ hydrogen bond H&lt;sub&gt;&lt;em&gt;ortho&lt;/em&gt;&lt;/sub&gt;⋯Br&lt;sub&gt;anion&lt;/sub&gt; and a further contact Br&lt;sub&gt;cation&lt;/sub&gt;⋯Br&lt;sub&gt;anion&lt;/sub&gt; to form a layer structure parallel to the &lt;em&gt;ac&lt;/em&gt; plane. Polymorph &lt;strong&gt;1b&lt;/strong&gt; shows similar Au⋯Br&lt;sub&gt;anion&lt;/sub&gt; and H&lt;sub&gt;&lt;em&gt;ortho&lt;/em&gt;&lt;/sub&gt;⋯Br&lt;sub&gt;anion&lt;/sub&gt; contacts, resulting in a chain of residues parallel to the &lt;em&gt;c&lt;/em&gt; axis. The most striking feature of the previous polymorph of compound &lt;strong&gt;2&lt;/strong&gt; was a topologically square, but distorted, network of tetra­bromido­aurate ions. The packing of the new polymorph of &lt;strong&gt;2&lt;/strong&gt; involves three-centre hydrogen bonds Br⋯H⋯Br′, an axial coinage bond Au⋯Br, and two Br⋯Br contacts, one of which","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 753-764"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797958","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 structures of 3,4,5-tri­phenyl­toluene and 3,4,5-tri­phenyl­benzyl bromide","authors":"Pierre Seidel ,&nbsp;Eric Meier ,&nbsp;Monika Mazik","doi":"10.1107/S2056989025006462","DOIUrl":"10.1107/S2056989025006462","url":null,"abstract":"<div><div>The crystal structures of 3,4,5-tri­phenyl­toluene and 3,4,5-tri­phenyl­benzyl bromide are described, the former of which crystallizes in two polymorphic forms.</div></div><div><div>This article describes the crystal structures of 3,4,5-tri­phenyl­toluene, C₂₅H₂₀ (<strong>1</strong>), and 3,4,5-tri­phenyl­benzyl bromide, C₂₅H₁₉Br (<strong>2</strong>), which represent two inter­mediates of a multistep synthesis of a phenyl­acetic acid derivative. Compound <strong>1</strong> crystallizes from methanol in two polymorphic forms, with the space groups <em>P</em>2/<em>n</em> (<strong>1a</strong>) and <em>P</em>2₁/c (<strong>1b</strong>). In both cases, van der Waals forces significantly contribute to the cohesion of the crystal structure and the two polymorphs are characterized by similar modes of mol­ecular inter­connection. Compound <strong>2</strong> crystallizes from <em>n</em>-hexane in the space group <em>P</em>1, showing a similar pattern of noncovalent inter­actions to <strong>1a</strong> and <strong>1b</strong>. In all reported structures, the aromatic framework of the mol­ecules adopts a paddlewheel-like conformation.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 776-781"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797959","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":"Iso­propyl­ammonium halidometallates. I. [CoX4]2−·X− (X = Cl, Br), ZnCl42−, and [ZnCl3−]n salts","authors":"Josh Birke ,&nbsp;Tu Nguyen ,&nbsp;Marcus R. Bond","doi":"10.1107/S2056989025006103","DOIUrl":"10.1107/S2056989025006103","url":null,"abstract":"&lt;div&gt;&lt;div&gt;The structures of the iso­propyl­ammonium halidometallate salts (IPA&lt;sup&gt;+&lt;/sup&gt;)&lt;sub&gt;3&lt;/sub&gt;Co&lt;em&gt;X&lt;/em&gt;&lt;sub&gt;5&lt;/sub&gt; (&lt;em&gt;X&lt;/em&gt; = Cl, Br), (IPA&lt;sup&gt;+&lt;/sup&gt;)&lt;sub&gt;2&lt;/sub&gt;ZnCl&lt;sub&gt;4&lt;/sub&gt; and (IPA&lt;sup&gt;+&lt;/sup&gt;)ZnCl&lt;sub&gt;3&lt;/sub&gt; are reported along with a survey of known iso­propyl­ammonium halidometallates, and a study of IPA&lt;sup&gt;+&lt;/sup&gt; cation geometry (both experimental and theoretical) juxtaposed with that of the trimethylammonium TMA&lt;sup&gt;+&lt;/sup&gt;) cation.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;div&gt;An exploration of the iso­propyl­ammonium (IPA&lt;sup&gt;+&lt;/sup&gt;) metal halide structural space is conducted, initially, for cobalt(II) and zinc(II) halides as a counterpart to the more extensively studied metal halide systems containing the isomeric tri­methyl­ammonium cation. For cobalt(II) halides, the only compound obtained from slow evaporation of acidic aqueous solutions of iso­propyl­ammonium halide and cobalt(II) halide is (IPA&lt;sup&gt;+&lt;/sup&gt;)&lt;sub&gt;3&lt;/sub&gt;Co&lt;em&gt;X&lt;/em&gt;&lt;sub&gt;4&lt;/sub&gt;·&lt;em&gt;X&lt;/em&gt; (&lt;em&gt;X&lt;/em&gt; = Cl, Br), namely, tris­(iso­propyl­ammonium) tetra­chlorido­cobaltate(II) chloride, (C&lt;sub&gt;3&lt;/sub&gt;H&lt;sub&gt;10&lt;/sub&gt;N)&lt;sub&gt;3&lt;/sub&gt;[CoCl&lt;sub&gt;4&lt;/sub&gt;]Cl, and tris­(iso­propyl­ammonium) tetra­bromido­cobaltate(II) bromide, (C&lt;sub&gt;3&lt;/sub&gt;H&lt;sub&gt;10&lt;/sub&gt;N)&lt;sub&gt;3&lt;/sub&gt;[CoBr&lt;sub&gt;4&lt;/sub&gt;]Br, regardless of the starting stoichiometric ratio of (IPA&lt;sup&gt;+&lt;/sup&gt;)&lt;em&gt;X&lt;/em&gt;:Co&lt;em&gt;X&lt;/em&gt;&lt;sub&gt;2&lt;/sub&gt;. These structures consist of isolated tetra­hedral Co&lt;em&gt;X&lt;/em&gt;&lt;sub&gt;4&lt;/sub&gt;&lt;sup&gt;2−&lt;/sup&gt; complexes and &lt;em&gt;X&lt;/em&gt;&lt;sup&gt;−&lt;/sup&gt; ions separated by IPA&lt;sup&gt;+&lt;/sup&gt; cations. One IPA&lt;sup&gt;+&lt;/sup&gt; cation hydrogen bonds to two complexes and to two halide ions to produce clusters. These clusters form stacks with hydrogen bonding from the remaining IPA&lt;sup&gt;+&lt;/sup&gt; cations linking the stacks into a tight, three-dimensional network. A 2:1 molar ratio of (IPA&lt;sup&gt;+&lt;/sup&gt;)Cl and ZnCl&lt;sub&gt;2&lt;/sub&gt; under similar growth conditions readily yields crystals of bis­(iso­propyl­ammonium) tetra­chlorido­zincate(II), (C&lt;sub&gt;3&lt;/sub&gt;H&lt;sub&gt;10&lt;/sub&gt;N)&lt;sub&gt;2&lt;/sub&gt;[ZnCl&lt;sub&gt;4&lt;/sub&gt;] or (IPA&lt;sup&gt;+&lt;/sup&gt;)&lt;sub&gt;2&lt;/sub&gt;ZnCl&lt;sub&gt;4&lt;/sub&gt;, consisting only of IPA&lt;sup&gt;+&lt;/sup&gt; cations and isolated ZnCl&lt;sub&gt;4&lt;/sub&gt;&lt;sup&gt;2−&lt;/sup&gt; tetra­hedra. This despite the expectation of common structural chemistry for the similarly sized Co&lt;sup&gt;2+&lt;/sup&gt; and Zn&lt;sup&gt;2+&lt;/sup&gt; ions with 51 known isostructural A&lt;sub&gt;2&lt;/sub&gt;CoCl&lt;sub&gt;4&lt;/sub&gt; and A&lt;sub&gt;2&lt;/sub&gt;ZnCl&lt;sub&gt;4&lt;/sub&gt; compounds out of 54 for the same monopositive A cation. Growth from a 1:1 ratio of (IPA&lt;sup&gt;+&lt;/sup&gt;)Cl:ZnCl&lt;sub&gt;2&lt;/sub&gt; yields crystals of poly[iso­propyl­ammonium [[di­chlorido­zincate(II)]-μ-chlorido]], {(C&lt;sub&gt;3&lt;/sub&gt;H&lt;sub&gt;10&lt;/sub&gt;N)[ZnCl&lt;sub&gt;3&lt;/sub&gt;]}&lt;sub&gt;&lt;em&gt;n&lt;/em&gt;&lt;/sub&gt; or (IPA&lt;sup&gt;+&lt;/sup&gt;)ZnCl&lt;sub&gt;3&lt;/sub&gt;, in which parallel chains of corner-sharing ZnCl&lt;sub&gt;4&lt;/sub&gt; tetra­hedra are separated by IPA&lt;sup&gt;+&lt;/sup&gt; cations. This unusual zinc(II) halide chain structure has previously been observed only in [&lt;em&gt;Y&lt;/em&gt;CH&lt;sub&gt;2&lt;/sub&gt;(CH&lt;sub&gt;3&lt;/sub&gt;)&lt;sub&gt;3&lt;/sub&gt;N]ZnCl&lt;sub&gt;3&lt;/sub&gt; salts (&lt;em","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 684-693"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797962","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 di­chlorido­bis(2,3-di­methyl­pyrazine-κN)zinc(II) and catena-poly[[di­chlorido­zinc(II)]-μ-2,3-di­methyl­pyrazine-κ2N1:N4]","authors":"Christian Näther ,&nbsp;Gaurav Bhosekar","doi":"10.1107/S205698902500619X","DOIUrl":"10.1107/S205698902500619X","url":null,"abstract":"<div><div>The syntheses and crystal structures of two new ZnCl₂–2,3-di­methyl­pyrazine (C₆H₈N₂) coordination compounds with the composition ZnCl₂(C₆H₈N₂)₂ (<strong>1</strong>) and ZnCl₂((C₆H₈N₂) (<strong>2</strong>) are reported. Compound <strong>1</strong> consists of discrete complexes, whereas in compound <strong>2</strong> the Zn cations are linked by the 2,3-di­methyl­pyrazine ligands into helical [001] chains.</div></div><div><div>The reactions of zinc(II)chloride with 2,3-di­methyl­pyrazine (C₆H₈N₂) in different ratios in aceto­nitrile lead to the formation of [ZnCl₂(C₆H₈N₂)₂] (<strong>1</strong>) and [ZnCl₂(C₆H₈N₂)]_<em>n</em> (<strong>2</strong>). The asymmetric unit of <strong>1</strong> consists of one Zn cation located on a twofold rotation axis, one chloride anion and one 2,3-di­methyl­pyrazine ligand that occupy general positions. In compound <strong>2</strong> the asymmetric unit is built up of one zinc cation, two chloride anions and one 2,3-di­methyl­pyrazine ligand that are located in general positions in the uncommon trigonal space group <em>P</em>3₂. In compound <strong>1</strong>, the Zn cations are tetra­hedrally coordinated by two chloride anions and two 2,3-di­methyl­pyrazine ligands forming discrete complexes. These complexes are arranged in columns that proceed along the <em>c</em>-axis direction. The Zn cations in <strong>2</strong> are also tetra­hedrally coordinated by two chloride anions and two 2,3-di­methyl­pyrazine ligands but linked <em>via</em> the bridging 2,3-di­methyl­pyrazine ligands into helical infinite chains that propagate along the <em>c</em>-axis direction. Powder X-ray diffraction measurements indicate that both compounds were obtained as pure crystalline phases.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 694-698"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797964","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 structure of 6-bromo-2-(di­eth­oxymeth­yl)-2-hy­droxy-3-phenyl-2,3-di­hydro-1H-imidazo[1,2-a]pyridin-4-ium chloride aceto­nitrile monosolvate","authors":"Firudin I. Guseinov ,&nbsp;Aida I. Samigullina ,&nbsp;Tuncer Hökelek ,&nbsp;Sahil Z. Hamidov ,&nbsp;Jamal Lasri ,&nbsp;Khudayar I. Hasanov ,&nbsp;Tahir A. Javadzade ,&nbsp;Alebel N. Belay","doi":"10.1107/S2056989025005778","DOIUrl":"10.1107/S2056989025005778","url":null,"abstract":"<div><div>In the crystal of the title solvate, O—H⋯Cl and N—H⋯Cl hydrogen bonds link the cations and anions into centrosymmetric tetra­mers.</div></div><div><div>In the title solvated mol­ecular salt, C₁₈H₂₂BrN₂O₃⁺·Cl⁻·CH₃CN, the imidazole ring is in envelope conformation and the pyridine and phenyl rings are oriented at a dihedral angle of 72.52 (5)°. In the crystal, O—H⋯Cl and N—H⋯Cl hydrogen bonds link the cations and anions into centrosymmetric tetra­mers enclosing <em>R</em>²₄(12) loops. Short Br⋯Cl [3.2313 (4) Å] and O⋯Cl [3.0490 (10) Å] contacts are observed. A Hirshfeld surface analysis of the structure indicates that the most important contributions for the crystal packing are from H⋯H (52.4%), H⋯C/C⋯H (12.1%), H⋯Br/Br⋯H (11.0%) and H⋯Cl/Cl⋯H (10.2%) inter­actions.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 672-675"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797903","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":"Cr5B3 with the Shastry–Sutherland lattices","authors":"Makoto Tokuda ,&nbsp;Kunio Yubuta ,&nbsp;Toetsu Shishido ,&nbsp;Kazumasa Sugiyama","doi":"10.1107/S2056989025006437","DOIUrl":"10.1107/S2056989025006437","url":null,"abstract":"<div><div>The structural parameters of penta­chromium triboride, Cr₅B₃, with Shastry–Sutherland lattices were refined based on single-crystal X-ray diffraction data. Cr₅B₃ crystallizes in the space group <em>I</em>4/<em>mcm</em> (No. 140). The present study succeeded in refining the positional and anisotropic atomic displacement parameters of the Cr and B atoms.</div></div><div><div>The structural parameters of penta­chromium triboride, Cr₅B₃, with Shastry–Sutherland lattices were refined based on single-crystal X-ray diffraction data. Cr₅B₃ crystallizes in the space group <em>I</em>4/<em>mcm</em> (No. 140), with the following lattice parameters: <em>a</em> = 5.4728 (1) and <em>c</em> = 10.0794 (2) Å. The present study succeeded in refining the positional and anisotropic atomic displacement parameters of the Cr and B atoms.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 8","pages":"Pages 748-752"},"PeriodicalIF":0.6,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144797952","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}