Acta Crystallographica Section E: Crystallographic Communications最新文献

{"title":"Foreword to the AfCA collection: celebrating work published by African researchers in IUCr journals.","authors":"Susan A Bourne, Delia A Haynes, Michele Zema","doi":"10.1107/S2056989024008272","DOIUrl":"10.1107/S2056989024008272","url":null,"abstract":"<p><p>This virtual collection is a celebration. It is a celebration of crystallography in Africa, and a celebration of the international crystallography community. It commemorates the founding of the African Crystallographic Association (AfCA), which was accepted as the newest Regional Associate of the International Union of Crystallography (IUCr) in 2023, the year of the 75th anniversary of the first IUCr Congress and General Assembly. The collection contains research articles authored by scientists across the African continent, as well as a selection of articles giving context to crystallography in Africa. These discuss history, collaboration between scientists and between associations, and various educational and outreach initiatives.</p>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 Pt 10","pages":"997-998"},"PeriodicalIF":0.5,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451496/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142379777","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":"Puckering effects of 4-hy­droxy-l-proline isomers on the conformation of ornithine-free Gramicidin S","authors":"Akiko Asano ,&nbsp;Kanako Nakayama ,&nbsp;Sakura Okada ,&nbsp;Takuma Kato ,&nbsp;Mitsunobu Doi","doi":"10.1107/S2056989024007771","DOIUrl":"10.1107/S2056989024007771","url":null,"abstract":"<div><p>The structures of Orn-free Gramicidin S with <em>cis/trans</em>-isomers of Hyp were solved, and the puckering of Hyp was unexpectedly down in both isomers.</p></div><div><p>The cyclic peptide <em>cyclo</em>(Val-Leu-Leu-<span>d</span>-Phe-Pro)₂ (peptide <strong>1</strong>) was specifically designed for structural chemistry investigations, drawing inspiration from Gramicidin S (GS). Previous studies have shown that Pro residues within <strong>1</strong> adopt a down-puckering conformation of the pyrrolidine ring. By incorporating fluoride-Pro with 4-<em>trans</em>/<em>cis</em>-isomers into <strong>1</strong>, an up-puckering conformation was successfully induced. In the current investigation, introducing hy­droxy­prolines with 4-<em>trans</em>/<em>cis</em>-isomer configurations (tHyp/cHyp) into <strong>1</strong> gave <em>cyclo</em>(Val-Leu-Leu-<span>d</span>-Phe-tHyp)₂ methanol disolvate monohydrate, C₆₂H₉₄N₁₀O₁₂·2CH₄O·H₂O (<strong>4</strong>), and <em>cyclo</em>(Val-Leu-Leu-<span>d</span>-Phe-cHyp)₂ monohydrate, C₆₂H₉₄N₁₀O₁₂·H₂O (<strong>5</strong>), respectively. However, the puckering of <strong>4</strong> and <strong>5</strong> remained in the down conformation, regardless of the geometric position of the hydroxyl group. Although the backbone structure of <strong>4</strong> with <em>trans</em>-substitution was asymmetric, the asymmetric backbone of <strong>5</strong> with <em>cis</em>-substitution was unexpected. It is speculated that the anti­cipated influence of stress from the geometric positioning, which was expected to affect the puckering, may have been mitigated by inter­actions between the hydroxyl groups of hy­droxy­proline, the solvent mol­ecules, and peptides.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 9","pages":"Pages 942-946"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141923887","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 tri­chlorido­(1,10-phenanthroline-κ2N,N′)phenyltin(IV)","authors":"Tarek Benlatreche ,&nbsp;Mohamed Abdellatif Bensegueni ,&nbsp;Georges Dénès ,&nbsp;Stéphane Golhen ,&nbsp;Hocine Merazig","doi":"10.1107/S2056989024009150","DOIUrl":"10.1107/S2056989024009150","url":null,"abstract":"<div><div>The title compound, which was obtained by the reaction between 1,10-phenanthroline and phenyl­tin trichloride in methanol, exhibits intra­molecular inter­actions involving the chlorine and hydrogen atoms. Crystal cohesion is ensured by inter­molecular C—H⋯Cl hydrogen bonds, as well as <em>Y</em>—<em>X</em>⋯π and π-stacking inter­actions</div></div><div><div>The title compound, [Sn(C₆H₅)Cl₃(C₁₂H₈N₂)], which was obtained by the reaction between 1,10-phenanthroline and phenyl­tin trichloride in methanol, exhibits intra­molecular hydrogen-bonding inter­actions involving the chlorine and hydrogen atoms. Crystal cohesion is ensured by inter­molecular C—H⋯Cl hydrogen bonds, as well as <em>Y</em>—<em>X</em>⋯π and π-stacking inter­actions involving three different aromatic rings with centroid–centroid distances of 3.6605 (13), 3.9327 (14) and 3.6938 (12) Å]. Hirshfeld surface analysis and the associated two-dimensional fingerprint plots reveal significant contributions from H⋯H (30.7%), Cl⋯H/H⋯Cl (32.4%), and C⋯H/H⋯C (24.0%) contacts to the crystal packing while the C⋯C (6.2%), C⋯Cl/Cl⋯C (4.1%), and N⋯H/H⋯N (1.7%) inter­actions make smaller contributions.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 10","pages":"Pages 1039-1043"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451494/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142379772","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 bis­(μ2-5-nona­noylquinolin-8-olato)bis­[aqua­dichlorido­indium(III)]","authors":"Betty Fuhrmann ,&nbsp;Eric Meier ,&nbsp;Monika Mazik","doi":"10.1107/S205698902400882X","DOIUrl":"10.1107/S205698902400882X","url":null,"abstract":"<div><div>An analysis of the complex structure obtained by crystallization of 5-nona­noyl-8-hy­droxy­quinoline and InCl₃ in aceto­nitrile is reported.</div></div><div><div>Crystallization of 5-nona­noyl-8-hy­droxy­quinoline in the presence of InCl₃ in aceto­nitrile yields a dinuclear In^III complex crystallizing in the space group <em>P</em><blockquote><div><figure><img></figure></div></blockquote>. In this complex, [In₂(C₁₈H₂₂NO₂)₂Cl₄(H₂O)₂], each indium ion is sixfold coordinated by two chloride ions, one water mol­ecule and two 8-quinolino­late ions. The crystal of the title complex is composed of two-dimensional supra­molecular aggregates, resulting from the linkage of the O_water—H⋯O=C and O_water—H⋯Cl hydrogen bonds as well as bifurcated C_arene—H⋯Cl contacts.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 10","pages":"Pages 1020-1023"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451490/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142383290","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 poly[ethanol(μ-4-methyl­pyridine N-oxide)di-μ-thio­cyanato-cobalt(II)]","authors":"Christian Näther ,&nbsp;Inke Jess","doi":"10.1107/S2056989024009058","DOIUrl":"10.1107/S2056989024009058","url":null,"abstract":"<div><div>In the crystal structure of the title compound, the Co^II cations are octa­hedrally coordinated by two bridging and one terminal thio­cyanate anions, two bridging 4-methyl­pyridine <em>N</em>-oxide coligands and one ethanol mol­ecule and linked into chains by single μ-1,3-bridging anionic ligands that are further connected into layers by pairs of μ-1,1(<em>O</em>,<em>O</em>)-bridging 4-methyl­pyridine <em>N</em>-oxide coligands.</div></div><div><div>Reaction of 4-methyl­pyridine <em>N</em>-oxide and Co(NCS)₂ in ethanol as solvent accidentally leads to the formation of single crystals of Co(NCS)₂(4-methyl­pyridine <em>N</em>-oxide)(ethanol) or [Co(NCS)₂(C₆H₇NO)(C₂H₆O)]_n. The asymmetric unit of the title compound consists of one Co^II cation, two crystallographically independent thio­cyanate anions, one 4-methyl­pyridine <em>N</em>-oxide coligand and one ethanol mol­ecule on general positions. The cobalt cations are sixfold coordinated by one terminal and two bridging thio­cyanate anions, two bridging 4-methyl­pyridine <em>N</em>-oxide coligands and one ethanol mol­ecule, with a slightly distorted octa­hedral geometry. The cobalt cations are linked by single μ-1,3(<em>N</em>,<em>S</em>)-bridging thio­cyanate anions into corrugated chains, that are further connected into layers by pairs of μ-1,1(<em>O</em>,<em>O</em>)-bridging 4-methyl­pyridine <em>N</em>-oxide coligands. The layers are parallel to the <em>bc</em> plane and are separated by the methyl groups of the 4-methyl­pyridine <em>N</em>-oxide coligands. Within the layers, intra­layer hydrogen bonding is observed.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 10","pages":"Pages 1029-1033"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451497/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142379871","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, characterization, and crystal structure of hexa­kis­(1-methyl-1H-imidazole-κN3)zinc(II) dinitrate","authors":"Nomampondo Penelope Magwa ,&nbsp;Thompho Jason Rashamuse","doi":"10.1107/S2056989024008806","DOIUrl":"10.1107/S2056989024008806","url":null,"abstract":"<div><div>The title complex, which consists of a central zinc metal ion surrounded by six 1-methyl­imidazole ligands, charge balanced by two nitrate anions and which crystallizes in the space group <em>P</em><blockquote><div><figure><img></figure></div></blockquote> has been synthesized and its structure determined.</div></div><div><div>The synthesis of the title compound, [Zn(C₄H₆N₂)₆](NO₃)₂, is described. This complex consists of a central zinc metal ion surrounded by six 1-methyl­imidazole ligands, charge balanced by two nitrate anions. The complex crystallizes in the space group <em>P</em><blockquote><div><figure><img></figure></div></blockquote>. In the crystal, the nitrate ions are situated within the cavities created by the [Zn(<em>N</em>-Melm)₆]²⁺ cations, serving as counter-ions. The three oxygen atoms of the nitrate ion engage in weak C—H⋯O inter­actions. In addition to single-crystal X-ray diffraction analysis, the complex was characterized using elemental analysis, ¹H NMR, ¹³C NMR, and FTIR spectroscopy.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 10","pages":"Pages 1054-1058"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451501/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142379872","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 hexa­glycinium dodeca­iodo­triplumbate","authors":"Gayane S. Tonoyan ,&nbsp;Gerald Giester ,&nbsp;Vahram V. Ghazaryan ,&nbsp;Ruben Yu. Chilingaryan ,&nbsp;Arthur A. Margaryan ,&nbsp;Artak H. Mkrtchyan ,&nbsp;Aram M. Petrosyan","doi":"10.1107/S2056989024007606","DOIUrl":"10.1107/S2056989024007606","url":null,"abstract":"<div><p>The crystal structure of (GlyH)₆(Pb₃I₁₂) is reported. Dimeric cations of type (<em>A</em>⁺⋯<em>A</em>⁺) for the amino acid glycine are observed for the first time.</p></div><div><p>The crystal structure of hexa­glycinium tetra-μ-iodido-octa­iodido­triplumbate, (C₂H₆NO₂)₆[Pb₃I₁₂] or (GlyH)₆[Pb₃I₁₂], is reported. The compound crystallizes in the triclinic space group <em>P</em></p><blockquote><p><figure><img></figure></p></blockquote>. The [Pb₃I₁₂]⁶⁻ anion is discrete and located around a special position: the central Pb ion located on the inversion center is holodirected, while the other two are hemidirected. The supra­molecular nature is mainly based on C—H⋯I, N—H⋯I, O—H⋯I and N—H⋯O hydrogen bonds. Dimeric cations of type (<em>A</em>⁺⋯<em>A</em>⁺) for the amino acid glycine are observed for the first time.</div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 9","pages":"Pages 916-920"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150203","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, Hirshfeld surface analysis, DFT optimized mol­ecular structure and the mol­ecular docking studies of 1-[2-(cyano­sulfan­yl)acet­yl]-3-methyl-2,6-bis­(4-methyl­phen­yl)piperidin-4-one","authors":"A. R. Karthiga ,&nbsp;S. Divyabharathi ,&nbsp;R. Reshwen Shalo ,&nbsp;K. Rajeswari ,&nbsp;T. Vidhyasagar ,&nbsp;S. Selvanayagam","doi":"10.1107/S2056989024008508","DOIUrl":"10.1107/S2056989024008508","url":null,"abstract":"<div><div>In the title compound, C₂₃H₂₄N₂O₂S, the two mol­ecules in the asymmetric unit have a structural overlap with an r.m.s. deviation of 0.82 Å.</div></div><div><div>The two mol­ecules in the asymmetric unit of the title compound, C₂₃H₂₄N₂O₂S, have a structural overlap with an r.m.s. deviation of 0.82 Å. The piperidine rings adopt a distorted boat conformation. Intra- and inter­molecular C—H⋯O hydrogen bonds are responsible for the cohesion of the crystal packing. The inter­molecular inter­actions were qu­anti­fied and analysed using Hirshfeld surface analysis. The mol­ecular structure optimized by density functional theory (DFT) at the B3LYP/6–311++G(d,p)level is compared with the experimentally determined mol­ecular structure in the solid state.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 10","pages":"Pages 1014-1019"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451485/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142379774","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 the (η2:η2-cyclo­octa-1,5-diene)(η6-toluene)­iridium(I) cation and μ-chlorido-iridium(III) complexes of 2-(phosphinito)- and 2-(phosphinometh­yl)anthra­quinone ligands","authors":"Sachin Thackeray ,&nbsp;James Mahoney ,&nbsp;Ashleigh Arrington ,&nbsp;Miles Wilklow-Marnell ,&nbsp;William W. Brennessel","doi":"10.1107/S2056989024008922","DOIUrl":"10.1107/S2056989024008922","url":null,"abstract":"&lt;div&gt;&lt;div&gt;Phosphinito and phosphinomethyl ligands incorporating an anthra­quinone moiety were reacted with bis­(cyclo­octa-1,5-diene)diiridium(I) dichloride to afford novel diiridium species. Intended as pincer-type tridentate ligands, bidentate binding modes were determined by X-ray crystallography. The anionic μ-tri­chlorido phosphinito complex formed is charged-balanced by one [Ir(toluene)(cyclo­octa-1,5-diene)]&lt;sup&gt;+&lt;/sup&gt; per asymmetric unit, the structure of which has not previously been reported despite a long history of use as an Ir&lt;sup&gt;I&lt;/sup&gt; source in organometallic chemistry.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;div&gt;When reacted in dry, degassed toluene, [Ir(COD)Cl]&lt;sub&gt;2&lt;/sub&gt; (COD = cyclo­octa-1,5-diene) and 2 equivalents of 2-(di-&lt;em&gt;tert&lt;/em&gt;-butyl­phosphinito)anthra­quinone (&lt;sup&gt;tBu&lt;/sup&gt;POAQH) were found to form a unique tri-iridium compound consisting of one monoanionic dinuclear tri-μ-chlorido complex bearing one bidentate &lt;sup&gt;tBu&lt;/sup&gt;POAQ ligand per iridium, which was charge-balanced by an outer sphere [Ir(toluene)(COD)]&lt;sup&gt;+&lt;/sup&gt; ion, the structure of which has not previously been reported. This product, which is a toluene solvate, namely, (η&lt;sup&gt;2&lt;/sup&gt;:η&lt;sup&gt;2&lt;/sup&gt;-cyclo­octa-1,5-diene)(η&lt;sup&gt;6&lt;/sup&gt;-toluene)­iridium(I) tri-μ-chlorido-bis­({3-[(di-&lt;em&gt;tert&lt;/em&gt;-butyl­phosphan­yl)­oxy]-9,10-dioxoanthracen-2-yl}hydridoiridium(III)) toluene monosolvate, [Ir(C&lt;sub&gt;7&lt;/sub&gt;H&lt;sub&gt;8&lt;/sub&gt;)(C&lt;sub&gt;8&lt;/sub&gt;H&lt;sub&gt;12&lt;/sub&gt;)][Ir&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;2&lt;/sub&gt;(C&lt;sub&gt;22&lt;/sub&gt;H&lt;sub&gt;24&lt;/sub&gt;O&lt;sub&gt;3&lt;/sub&gt;P)&lt;sub&gt;2&lt;/sub&gt;Cl&lt;sub&gt;3&lt;/sub&gt;]·C&lt;sub&gt;7&lt;/sub&gt;H&lt;sub&gt;8&lt;/sub&gt; or [Ir(toluene)(COD)][Ir(κ-&lt;em&gt;P&lt;/em&gt;,&lt;em&gt;C&lt;/em&gt;-&lt;sup&gt;tBu&lt;/sup&gt;POAQ)(H)]&lt;sub&gt;2&lt;/sub&gt;(μ-Cl)&lt;sub&gt;3&lt;/sub&gt;]·toluene, formed as small orange platelets at room temperature, crystallizing in the triclinic space group &lt;em&gt;P&lt;/em&gt;&lt;blockquote&gt;&lt;div&gt;&lt;figure&gt;&lt;img&gt;&lt;/figure&gt;&lt;/div&gt;&lt;/blockquote&gt;. The cation and anion are linked &lt;em&gt;via&lt;/em&gt; weak C—H⋯O inter­actions. The stronger inter­molecular attractions are likely the offset parallel π–π inter­actions, which occur between the toluene ligands of pairs of inverted cations and between pairs of inverted anthra­quinone moieties, the latter of which are capped by toluene solvate mol­ecules, making for π-stacks of four mol­ecules each. The related ligand, 2-(di-&lt;em&gt;tert&lt;/em&gt;-butyl­phosphinometh­yl)-anthra­quinone (&lt;sup&gt;tBu&lt;/sup&gt;PCAQH), did not form crystals suitable for X-ray diffraction under analogous reaction conditions. However, when the reaction was conducted in chloro­form, yellow needles readily formed following addition of 1 atm of carbon monoxide. Diffraction studies revealed a neutral, dinuclear, di-μ-chlorido complex, di-μ-chlorido-bis­(carbon­yl{3-[(di-&lt;em&gt;tert&lt;/em&gt;-butyl­phosphan­yl)­oxy]-9,10-dioxoanthracen-2-yl}hydridoiridium(I)), [Ir&lt;sub&gt;2&lt;/sub&gt;H&lt;sub&gt;2&lt;/sub&gt;(C&lt;sub&gt;23&lt;/sub&gt;H&lt;sub&gt;26&lt;/sub&gt;O&lt;sub&gt;2&lt;/sub&gt;P)&lt;sub&gt;2&lt;/sub&gt;Cl&lt;sub&gt;2&lt;/sub&gt;(CO)&lt;sub&gt;2&lt;/sub&gt;] or [Ir(κ-&lt;em&gt;P&lt;/em&gt;,&lt;em&gt;C&lt;/em&gt;-&lt;sup&gt;tBu&lt;/sup&gt;PCAQ)(H)(CO)(μ-Cl)]&lt;sub&gt;2&lt;/sub&gt;, Ir&lt;sub&gt;2&lt;/sub&gt;C&lt;sub&gt;48&lt;/sub&gt;H&lt;sub&gt;54&lt;/sub&gt;","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 10","pages":"Pages 1101-1109"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11451491/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142379776","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 1,3-bis­(acet­oxymeth­yl)-5-{[(4,6-di­methyl­pyridin-2-yl)amino]­methyl}-2,4,6-tri­ethyl­benzene","authors":"Manuel Stapf ,&nbsp;Venugopal Rao Miyyapuram ,&nbsp;Wilhelm Seichter ,&nbsp;Monika Mazik","doi":"10.1107/S2056989024007515","DOIUrl":"10.1107/S2056989024007515","url":null,"abstract":"<div><p>In the crystal structure of the title compound, C₂₆H₃₆N₂O₄, the tripodal mol­ecule adopts a conformation in which the substituents attached to the central benzene ring are arranged in an alternating order above and below the ring plane.</p></div><div><p>In the crystal structure of the title compound, C₂₆H₃₆N₂O₄, the tripodal mol­ecule exists in a conformation in which the substituents attached to the central arene ring are arranged in an alternating order above and below the ring plane. The heterocyclic unit is inclined at an angle of 79.6 (1)° with respect to the plane of the benzene ring. In the crystal, the mol­ecules are connected <em>via</em> N—H⋯O bonds, forming infinite supra­molecular strands. Inter­strand association involves weak C—H⋯O and C—H⋯π inter­actions, with the pyridine ring acting as an acceptor in the latter case.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 9","pages":"Pages 947-950"},"PeriodicalIF":0.5,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142150083","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}