Acta Crystallographica Section E: Crystallographic Communications最新文献

{"title":"Crystal structure and Hirshfeld surface analysis of 6-[4-(1-cyclo­hexyl-1H-tetra­zol-5-yl)but­oxy]-8-nitro-3,4-di­hydro­quinolin-2(1H)-one","authors":"Arnab Dutta ,&nbsp;Yogesh Dhasmana ,&nbsp;T. P. Mohan ,&nbsp;B. Selvakumar ,&nbsp;Deepak Chopra","doi":"10.1107/S2056989025001793","DOIUrl":"10.1107/S2056989025001793","url":null,"abstract":"<div><div>The composition of the nitro-substituted compound 6-[4-(1-cyclo­hexyl-1<em>H</em>-tetra­zol-5-yl)but­oxy]-8-nitro-3,4-di­hydro­quinolin-2(1<em>H</em>)-one has been unequivocally established from single-crystal X-ray diffraction. The mol­ecular conformation and the role of the different inter­molecular inter­actions in the crystal packing has also been explored.</div></div><div><div>The crystal structure of 6-[4-(1-cyclo­hexyl-1<em>H</em>-tetra­zol-5-yl)but­oxy]-8-nitro-3,4-di­hydro­quinolin-2(1<em>H</em>)-one, C₂₀H₂₆N₆O₄ (<strong>I</strong>), was characterized by single-crystal X-ray diffraction. The primary focus was to establish the position of the nitro group, the mol­ecular conformation, and the role of inter­molecular inter­actions towards the crystal packing of <strong>I</strong>. The crystalline structure is mainly consolidated by π–π, C—H⋯O, C—H⋯N, N⋯C(π) and O⋯C(π) inter­actions. The contributions of different inter­actions towards the crystal packing were further analyzed using Hirshfeld surface and fingerprint plots.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 4","pages":"Pages 284-288"},"PeriodicalIF":0.5,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768149","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 analyses, inter­molecular inter­action energies and energy frameworks of methyl 6-amino-5-cyano-2-(2-meth­oxy-2-oxoeth­yl)-4-(4-nitro­phen­yl)-4H-pyran-3-carboxyl­ate","authors":"Farid N. Naghiyev ,&nbsp;Tuncer Hökelek ,&nbsp;Victor N. Khrustalev ,&nbsp;Huseyn M. Mamedov ,&nbsp;Alebel N. Belay ,&nbsp;Jamshid Ashurov ,&nbsp;Ibrahim G. Mamedov","doi":"10.1107/S2056989025001276","DOIUrl":"10.1107/S2056989025001276","url":null,"abstract":"<div><div>The title compound contains pyran and phenyl rings, with the pyran ring in a flattened-boat conformation. In the crystal, inter­molecular N—H⋯N hydrogen bonds link the mol­ecules into centrosymmetric dimers, forming <em>R</em>²₂(12) ring motifs, which are linked by N—H⋯O hydrogen bonds into a three-dimensional architecture. In addition to van der Waals inter­actions and N—H⋯N and N—H⋯O hydrogen bonds, halogen bonds, tetrel bonds and pnictogen bonds also play an important role in the cohesion of the crystal structure.</div></div><div><div>The title compound, C₁₇H₁₅N₃O₇, contains pyran and phenyl rings, with the pyran ring exhibiting a flattened-boat conformation. In the crystal, inter­molecular N—H⋯N hydrogen bonds link the mol­ecules into centrosymmetric dimers, forming <em>R</em>²₂(12) ring motifs. These dimers are linked through N—H⋯O hydrogen bonds into a three-dimensional architecture. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯O/O⋯H (29.7%), H⋯H (28.7%), H⋯C/C⋯H (16.0%) and H⋯N/N⋯H (12.9%) inter­actions. In addition to van der Waals inter­actions and N—H⋯N and N—H⋯O hydrogen bonds, halogen bonds, tetrel bonds and pnictogen bonds also play an important role in the cohesion of the crystal structure.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 4","pages":"Pages 296-302"},"PeriodicalIF":0.5,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768079","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 dipotassium nickel polyphosphate","authors":"El Waleda Moustapha Thiam ,&nbsp;Kalidou Mamadou Ba ,&nbsp;Aichata Yaya Kane ,&nbsp;Ibrahima Elhadji Thiam ,&nbsp;Nicolas Claiser ,&nbsp;Mohamed Souhassou ,&nbsp;Aliou Hamady Barry ,&nbsp;Mohamed Gaye","doi":"10.1107/S2056989025002221","DOIUrl":"10.1107/S2056989025002221","url":null,"abstract":"<div><div>The structure consists of infinite zigzag polyphosphate chains, running along the <em>c</em>-axis direction, linked by Ni²⁺ ions and delimiting large tunnels in which the K⁺ ions are located. Ni²⁺ ions form slightly distorted NiO₆ octa­hedra and the coordination numbers of the independent potassium cations are 8 and 10.</div></div><div><div>Single crystals of K₂Ni(PO₃)₄ were obtained by solid-state reaction. The structure consists of infinite zigzag polyphosphate chains, running along the <em>c</em>-axis direction, linked by Ni²⁺ ions and delimiting large tunnels in which the K⁺ ions are located. Ni²⁺ ions form slightly distorted NiO₆ octa­hedra and the coordination numbers of the independent potassium cations are 8 and 10.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 4","pages":"Pages 324-327"},"PeriodicalIF":0.5,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768147","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 the possible sulindac impurity 2-(5-fluoro-2-methyl-1H-inden-3-yl)aceto­nitrile","authors":"Wu Yun-Deng ,&nbsp;Wan Hui ,&nbsp;Xia Yun ,&nbsp;Ni Jie ,&nbsp;Li Jian ,&nbsp;Zhang Hui ,&nbsp;Xu Xiang-Yang ,&nbsp;Xie Jun","doi":"10.1107/S2056989025002622","DOIUrl":"10.1107/S2056989025002622","url":null,"abstract":"<div><div>The asymmetric unit of the title compound consists of two mol­ecules with nearly identical conformations. The angles between the cyanide group and the corresponding indene ring plane are 64.09 (16) and 64.72 (14)°.</div></div><div><div>The title compound,C₁₂H₁₀FN, was identified as a possible critical degradation impurity of sulindac, a therapeutic COX-2 inhibitor for rheumatoid arthritis. Single-crystal X-ray analysis revealed two conformationally slightly different mol­ecules in the asymmetric unit (<em>Z</em>′ = 2), each containing an indene ring system. In the crystal structure, [100] chains formed through C—H⋯N inter­actions are connected into a tri-periodic supra­molecular structure by further C—H⋯F and C—H⋯π inter­actions through <em>P</em>2₁/<em>n</em> symmetry operations.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 4","pages":"Pages 341-344"},"PeriodicalIF":0.5,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768077","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":"Syntheses and crystal structures of 4-benzyl-1-ethyl-1,2,4-triazolium bromide and its corresponding NHC complexes of rhodium and iridium","authors":"Timothy G. Lerch ,&nbsp;Daniel R. Albert ,&nbsp;Michael Gau ,&nbsp;Edward Rajaseelan","doi":"10.1107/S2056989025002671","DOIUrl":"10.1107/S2056989025002671","url":null,"abstract":"&lt;div&gt;&lt;div&gt;The syntheses and crystal structures of a triazolium salt, 4-benzyl-1-ethyl-1,2,4-triazolium bromide, and the corresponding N-heterocyclic carbene complexes, (4-benzyl-1-ethyl-1,2,4-triazol-5-yl­idene)chlorido­[(1,2,5,6-η)-cyclo­octa-1,5-diene]rhodium(I), (4-benzyl-1-ethyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate and (4-benzyl-1-ethyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­cyclo­hexyl­phosphane)iridium(I) tetra­fluorido­borate dicholoro­methane sesquisolvate, are presented. All structures exhibit non-classical hydrogen-bonding inter­actions with the most acidic hydrogen atoms in two of them playing critical roles in the orientations of structural units.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;div&gt;The syntheses and crystal structures of a triazolium salt, 4-benzyl-1-ethyl-1,2,4-triazolium bromide, C&lt;sub&gt;11&lt;/sub&gt;H&lt;sub&gt;14&lt;/sub&gt;N&lt;sub&gt;3&lt;/sub&gt;&lt;sup&gt;+&lt;/sup&gt;·Br&lt;sup&gt;−&lt;/sup&gt; (&lt;strong&gt;2&lt;/strong&gt;), and the corresponding N-heterocyclic carbene complexes, (4-benzyl-1-ethyl-1,2,4-triazol-5-yl­idene)chlorido­[(1,2,5,6-η)-cyclo­octa-1,5-diene]rhodium(I), [RhCl(C&lt;sub&gt;8&lt;/sub&gt;H&lt;sub&gt;12&lt;/sub&gt;)(C&lt;sub&gt;11&lt;/sub&gt;H&lt;sub&gt;13&lt;/sub&gt;N&lt;sub&gt;3&lt;/sub&gt;)] (&lt;strong&gt;3&lt;/strong&gt;), (4-benzyl-1-ethyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­phenyl­phosphane)iridium(I) tetra­fluorido­borate, [Ir(C&lt;sub&gt;8&lt;/sub&gt;H&lt;sub&gt;12&lt;/sub&gt;)(C&lt;sub&gt;11&lt;/sub&gt;H&lt;sub&gt;13&lt;/sub&gt;N&lt;sub&gt;3&lt;/sub&gt;)(C&lt;sub&gt;18&lt;/sub&gt;H&lt;sub&gt;15&lt;/sub&gt;P)]BF&lt;sub&gt;4&lt;/sub&gt; (&lt;strong&gt;5&lt;/strong&gt;), and (4-benzyl-1-ethyl-1,2,4-triazol-5-yl­idene)[(1,2,5,6-η)-cyclo­octa-1,5-diene](tri­cyclo­hexyl­phosphane)iridium(I) tetra­fluorido­borate dicholoro­methane sesquisolvate, [Ir(C&lt;sub&gt;8&lt;/sub&gt;H&lt;sub&gt;12&lt;/sub&gt;)(C&lt;sub&gt;11&lt;/sub&gt;H&lt;sub&gt;13&lt;/sub&gt;N&lt;sub&gt;3&lt;/sub&gt;)(C&lt;sub&gt;18&lt;/sub&gt;H&lt;sub&gt;33&lt;/sub&gt;P)]BF&lt;sub&gt;4&lt;/sub&gt;·1.5CH&lt;sub&gt;2&lt;/sub&gt;Cl&lt;sub&gt;2&lt;/sub&gt; (&lt;strong&gt;6&lt;/strong&gt;), are presented. Complexes &lt;strong&gt;2&lt;/strong&gt; and &lt;strong&gt;6&lt;/strong&gt; crystallize in the monoclinic space group &lt;em&gt;P&lt;/em&gt;2&lt;sub&gt;1&lt;/sub&gt;/&lt;em&gt;c&lt;/em&gt;, complex &lt;strong&gt;3&lt;/strong&gt; in the triclinic space group &lt;em&gt;P&lt;/em&gt;1 and complex &lt;strong&gt;5&lt;/strong&gt; in the triclinic space group &lt;em&gt;P&lt;/em&gt;1 with two mol­ecules in the asymmetric unit. The three metal complexes &lt;strong&gt;3&lt;/strong&gt;, &lt;strong&gt;5&lt;/strong&gt;, and &lt;strong&gt;6&lt;/strong&gt; have a distorted square-planar geometry around the metal ions. The N1—C1—N3 bond angle in the triazolium salt &lt;strong&gt;2&lt;/strong&gt; is 107.1 (2)° and is observed in the range of 102.2 (3) to 103.8 (5)° in the NHC ligands in complexes &lt;strong&gt;3&lt;/strong&gt;, &lt;strong&gt;5&lt;/strong&gt;, and &lt;strong&gt;6&lt;/strong&gt;. The two substituent ‘wing tips’ in the NHC ligand (N-ethyl and N-benz­yl) are oriented in an &lt;em&gt;anti&lt;/em&gt;-arrangement in compounds &lt;strong&gt;2&lt;/strong&gt; and &lt;strong&gt;3&lt;/strong&gt;, a &lt;em&gt;syn&lt;/em&gt;-arrangement in compound &lt;strong&gt;6&lt;/strong&gt;, and both &lt;em&gt;syn&lt;/em&gt; and &lt;em&gt;anti&lt;/em&gt;-arrangements in the two independent ion pairs in compound &lt;strong&gt;5&lt;/strong&gt;. All structures exhibit non-classical hydrogen-bonding inter­actions w","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 4","pages":"Pages 350-357"},"PeriodicalIF":0.5,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768078","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":"Syntheses and crystal structures of three tri­phenyl­sulfonium halometallate salts of zinc, cadmium and mercury","authors":"Rylan Artis ,&nbsp;Elizabeth Heyward ,&nbsp;Naomi Reyes ,&nbsp;Kaitlyn Van Ostenbridge ,&nbsp;Will E. Lynch ,&nbsp;Clifford W. Padgett","doi":"10.1107/S2056989025002245","DOIUrl":"10.1107/S2056989025002245","url":null,"abstract":"<div><div>The crystal structures of three salts of the C₁₈H₁₅S⁺ tri­phenyl­sulfonium ion are reported, namely, bis­(tri­phenyl­sulfonium) tetra­chloro­zinc(II), bis­(tri­phenyl­sulfonium) tetra­chloro­cadmium(II) and bis­(tri­phenyl­sulfonium) tetra­chloro­mercury(II) methanol monosolvate.</div></div><div><div>Bis(tri­phenyl­sulfonium) tetra­chlorido­zinc(II), (C₁₈H₁₅S)₂[ZnCl₄] (<strong>I</strong>), bis­(tri­phenyl­sulfonium) tetra­chlorido­cadmium(II), (C₁₈H₁₅S)₂[CdCl₄] (<strong>II</strong>), and bis­(tri­phenyl­sulfonium) tetra­chlorido­mercury(II) methanol monosolvate, (C₁₈H₁₅S)₂[HgCl₄]·CH₃OH (<strong>III</strong>), each crystallize in the monoclinic space group <em>P</em>2₁/<em>n</em>. In all three structures, there are two crystallographically independent tri­phenyl­sulfonium (TPS) cations per asymmetric unit, each adopting a distorted trigonal–pyramidal geometry about the S atom (S—C bond lengths in the 1.77–1.80 Å range and C—S—C angles of 100–107°). The [<em>M</em>Cl₄]^2– anions (<em>M</em> = Zn²⁺, Cd²⁺, Hg²⁺) are tetra­hedral; their M—Cl bond lengths systematically increase from Zn²⁺ to Hg²⁺, consistent with the larger ionic radius of the heavier metal. Hirshfeld surface analyses show that H⋯H and H⋯C contacts dominate the TPS cation environments, whereas H⋯Cl and S⋯<em>M</em> inter­actions anchor each [<em>M</em>Cl₄]^2– anion to two surrounding TPS cations. Weak C—H⋯Cl hydrogen bonds, as well as inversion-centered π–π stacking, generate layers in (<strong>I</strong>) and (<strong>II</strong>) and dimeric [(TPS)₂–HgCl₄]₂ assemblies in (<strong>III</strong>).</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 4","pages":"Pages 358-363"},"PeriodicalIF":0.5,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768076","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 1-amino-3-(4-chloro­phen­yl)-2-cyano-3H-benzo[4,5]thia­zolo[3,2-a]pyridine-4-carboxamide","authors":"Nadia H. Metwally ,&nbsp;Galal H. Elgemeie ,&nbsp;El-shimaa S. M. Abd Al-latif ,&nbsp;Peter G. Jones","doi":"10.1107/S2056989025001562","DOIUrl":"10.1107/S2056989025001562","url":null,"abstract":"<div><div>The tricyclic ring system of the title compound departs from planarity in the region of the <em>sp</em>³ carbon atom. The three-dimensional packing involves four classical hydrogen bonds and one N⋯Cl halogen bond.</div></div><div><div>In the structure of the title compound, C₁₉H₁₃ClN₄OS, the four atoms of the pyridinic ring that are not fused with the thia­zole, including the <em>sp</em>³ C atom, lie significantly outside the benzo­thia­zole plane. A short intra­molecular S⋯O contact of 2.5992 (4) Å is observed. The amide NH₂ group is planar, whereas the amine NH₂ group is pyramidalized. The three-dimensional packing involves two inter­connected layer structures. The first, parallel to the <em>bc</em> plane, involves three classical hydrogen bonds N—H_amine⋯O (one of two), N—H_amine⋯Cl and one N—H_amide ⋯N_cyano; the second, parallel to the <em>ab</em> plane, involves two hydrogen bonds, N—H_amide⋯O and the second N—H_amine⋯O, together with the short and linear contact N_cyano⋯Cl—C, which may be regarded as a halogen bond.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 4","pages":"Pages 279-283"},"PeriodicalIF":0.5,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768091","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 a propyl 4-{[1-(2-methyl-4-nitro­phen­yl)-1H-1,2,3-triazol-4-yl]meth­oxy}benzoate copper(II) chloride complex","authors":"Muminjon Hakimov ,&nbsp;Ilkhomjon Ortikov ,&nbsp;Tulkinjon Sattarov ,&nbsp;Bakhodir Tashkhodjaev ,&nbsp;Akmaljon Tojiboev","doi":"10.1107/S2056989025001732","DOIUrl":"10.1107/S2056989025001732","url":null,"abstract":"<div><div>The title coordination compound was synthesized upon complexation of propyl 4-{[1-(2-methyl-4-nitro­phen­yl)-1<em>H</em>-1,2,3-triazol-4-yl]meth­oxy}benzoate and copper(II) chloride at 323 K. It crystallizes as a centrosymmetric dimer, with one copper atom, two chlorine atoms and two propyl 4-{[1-(2-methyl-4-nitro­phen­yl)-1<em>H</em>-1,2,3-triazol-4-yl]meth­oxy}benzoate ligands in the asymmetric unit.</div></div><div><div>The core of the title complex, di­chlorido­bis­(propyl 4-{[1-(2-methyl-4-nitro­phen­yl)-1<em>H</em>-1,2,3-triazol-4-yl]meth­oxy}benzoate)copper(II), [CuCl₂(C₂₀H₂₀N₄O₅)₂], which belongs to the copper(II) complex family, consists of two C₂₀H₂₀N₄O₅ ligands and two chloride ligands arranged around the metal, forming a <em>trans</em>-di­chlorido square-planar complex. In the crystal, the mol­ecules are linked by C—H⋯Cl and C—H⋯O hydrogen bonds as well as by aromatic π–π stacking inter­actions into a three-dimensional network. To further analyse the inter­molecular inter­actions, a Hirshfeld surface analysis was performed.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 4","pages":"Pages 271-274"},"PeriodicalIF":0.5,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768080","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":"CuBr2 complexes with 3,5-disubstituted pyridine ligands","authors":"Christopher P. Landee ,&nbsp;Diane A. Dickie ,&nbsp;Mark M. Turnbull","doi":"10.1107/S2056989025001343","DOIUrl":"10.1107/S2056989025001343","url":null,"abstract":"<div><div>Compounds <strong>1</strong> and <strong>2</strong> are similar coordination polymers of bibromide bridged chains of Cu^II ions with 3,5-disubstituted pyridine mol­ecules in the axial sites. The chains lie parallel to the <em>a</em> axis and are linked into a tri-periodic network <em>via</em> non-classical hydrogen bonds.</div></div><div><div>Reaction of copper(II) bromide with 3,5-di­chloro­pyridine (3,5-Cl₂py) or 3,5-di­methyl­pyridine (3,5-Me₂py) led to the isolation of the coordination polymers <em>catena</em>-poly[[bis­(3,5-di­chloro­pyridine)­copper(II)]-di-μ-bromido], [CuBr₂(C₅H₃Cl₂N)₂]_<em>n</em> or [CuBr₂(3,5-Cl₂py)₂]_<em>n</em> (<strong>1</strong>), and <em>catena</em>-poly[[bis­(3,5-di­methyl­pyridine)­copper(II)]-di-μ-bromido], [CuBr₂(C₇H₉N)₂]_<em>n</em> or [CuBr₂(3,5-Me₂py)₂]_<em>n</em> (<strong>2</strong>), respectively. The structures are characterized by bibromide-bridged chains [<em>d</em>(av.)_Cu⋯Cu = 3.93 (9) Å]. In <strong>1</strong>, the chains are linked perpendicular to the <em>a</em> axis by non-classical hydrogen bonds and halogen bonds, while in <strong>2</strong>, only non-classical hydrogen bonds are observed.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 3","pages":"Pages 243-247"},"PeriodicalIF":0.5,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11891580/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143603208","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 structure of 1,1′,1′′-[(2-bromo­eth­oxy)methane­tri­yl]tri­benzene and 1,1′,1′′-[(2-iodoeth­oxy)methane­tri­yl]tri­benzene","authors":"Julian Fischer ,&nbsp;Marian Hebenbrock","doi":"10.1107/S2056989025001124","DOIUrl":"10.1107/S2056989025001124","url":null,"abstract":"<div><div>Both compounds crystallized from a saturated solution in THF by slow vapour diffusion of <em>n</em>-hexane in the monoclinic space group <em>P</em>2₁/<em>c</em>. While the two independent mol­ecules in the asymmetric unit of 1,1′,1′′-[(2-iodo­eth­oxy)methane­tri­yl]tri­benzene show no close contacts to other mol­ecules, in the structure of 1,1′,1′′-[(2-bromo­eth­oxy)methane­tri­yl]tri­benzene the mol­ecules inter­act with each other by C—H⋯π contacts.</div></div><div><div>The present study reports on the mol­ecular structures and syntheses of 1,1′,1′′-[(2-bromo­eth­oxy)methane­tri­yl]tri­benzene, C₂₁H₁₉BrO, and 1,1′,1′′-[(2-iodo­eth­oxy)methane­tri­yl]tri­benzene, C₂₁H₁₉IO. Both compounds crystallized from a saturated solution in THF by slow vapour diffusion of <em>n</em>-hexane in the monoclinic space group <em>P</em>2₁/<em>c</em>. While the two independent mol­ecules in the asymmetric unit of 1,1′,1′′-[(2-iodo­eth­oxy)methane­tri­yl]tri­benzene show no close contacts to other mol­ecules, in the structure of 1,1′,1′′-[(2-bromo­eth­oxy)methane­tri­yl]tri­benzene the mol­ecules inter­act with each other <em>via</em> C—H⋯π contacts.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 3","pages":"Pages 214-218"},"PeriodicalIF":0.5,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11891592/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143603323","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}