发布求助
文献互助 智能选刊 最新文献

Journal of Structural Chemistry最新文献

筛选
英文 中文
Crystal Structure, Hirshfeld Surface Analysis and Comparative Docking Study of 2-Amino-5-Oxo-4-Phenyl-5,6,7,8-Tetrahydro-4H-Chromene-3-Carbonitrile-1,4-Dioxane 2-氨基-5-氧-4-苯基-5,6,7,8-四氢- 4h -铬-3-碳腈-1,4-二氧环的晶体结构、Hirshfeld表面分析及对接比较研究
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2025-07-01 DOI: 10.1134/S0022476625060034
L. A. Abdulsamad, M. Kazadağ Alpaslan, E. B. Poyraz, M. R. Albayati, S. Salim Jasim, N. Dege
{"title":"Crystal Structure, Hirshfeld Surface Analysis and Comparative Docking Study of 2-Amino-5-Oxo-4-Phenyl-5,6,7,8-Tetrahydro-4H-Chromene-3-Carbonitrile-1,4-Dioxane","authors":"L. A. Abdulsamad,&nbsp;M. Kazadağ Alpaslan,&nbsp;E. B. Poyraz,&nbsp;M. R. Albayati,&nbsp;S. Salim Jasim,&nbsp;N. Dege","doi":"10.1134/S0022476625060034","DOIUrl":"10.1134/S0022476625060034","url":null,"abstract":"<p>This study explores the synthesis, crystal structure, Hirshfeld surface analysis, and molecular docking of 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile-1,4-dioxane, a biologically relevant chromene derivative. The compound was synthesized via a one-pot multicomponent reaction, and X-ray diffraction confirmed its structure. Hirshfeld analysis showed dominant H⋯H, C⋯H, and O⋯H interactions, indicating significant hydrogen bonding and Van der Waals forces. Molecular docking against CYP1A2, a key enzyme in drug metabolism, revealed a binding energy of –6.56 kcal/mol, surpassing reference drugs like anagrelide, caffeine, and ofloxacin. Strong hydrogen bonds and hydrophobic interactions suggest its potential as a CYP1A2 inhibitor, important for drug interactions and metabolism. These findings support its drug development potential, either as a therapeutic agent or a lead compound for designing more effective inhibitors.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 6","pages":"1147 - 1161"},"PeriodicalIF":1.4,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal Structures of the NH3OHCl·NH3O and 2(NH3OHCl)·NH3O Hydroxylamine Hydrochloride Hydroxylaminosolvates NH3OHCl·nh30和2（NH3OHCl）·nh30盐酸羟胺溶剂化物的晶体结构
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2025-07-01 DOI: 10.1134/S0022476625060174
M. A. Navasardyan
{"title":"Crystal Structures of the NH3OHCl·NH3O and 2(NH3OHCl)·NH3O Hydroxylamine Hydrochloride Hydroxylaminosolvates","authors":"M. A. Navasardyan","doi":"10.1134/S0022476625060174","DOIUrl":"10.1134/S0022476625060174","url":null,"abstract":"<p>Cocrystals of hydroxylammonium chloride with hydroxylamine in 1:1 (NH<sub>3</sub>OHCl·NH<sub>3</sub>O, structure <b>I</b>) and 2:1 (2(NH<sub>3</sub>OHCl)·NH<sub>3</sub>O, structure <b>II</b>) ratios are prepared and structurally characterized. The structures of both cocrystals are determined by XRD: the structures crystallize in the monoclinic crystal system, both in the <i>P</i>2<sub>1</sub>/<i>c</i> space group. It is established that the NH<sub>3</sub>O ammonia oxide zwitter ion forms an exceptionally large number of contacts (11 in <b>I</b> and 12 in <b>II</b>). The main differences between the structures of <b>I</b> and <b>II</b> are manifested in the supramolecular organization of their crystal packings: hydroxylamine acts as a hydrogen donor for four hydrogen bonds and a hydrogen acceptor for other four hydrogen bonds in <b>I</b> and as a hydrogen donor for six hydrogen bonds and a hydrogen acceptor for three hydrogen bonds in <b>II</b>.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 6","pages":"1329 - 1339"},"PeriodicalIF":1.4,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160510","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
XRD Study of Tetrachlorosubstituted Tin Phthalocyanines 四氯取代锡酞菁的XRD研究
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2025-07-01 DOI: 10.1134/S0022476625060137
A. S. Sukhikh, D. D. Klyamer, I. N. Zelepukhina, D. V. Bonegardt, T. V. Basova
{"title":"XRD Study of Tetrachlorosubstituted Tin Phthalocyanines","authors":"A. S. Sukhikh,&nbsp;D. D. Klyamer,&nbsp;I. N. Zelepukhina,&nbsp;D. V. Bonegardt,&nbsp;T. V. Basova","doi":"10.1134/S0022476625060137","DOIUrl":"10.1134/S0022476625060137","url":null,"abstract":"<p>In recent decades, there has been a marked rise of interest in the films of halogen-substituted metal phthalocyanines (<i>M</i>PcHal<sub><i>x</i></sub>) as promising materials for field-effect transistors and chemical sensors. Even though fluoro-substituted phthalocyanines are poorly soluble, they can sublimate in a vacuum without decomposition, so their thin films can be prepared by physical vapor deposition. Chloro-substituted phthalocyanines are more soluble than their fluoro-substituted analogs, so their films can be prepared by solution methods. The present work reports a synthesis and a study of SnCl<sub>2</sub>PcCl<sub>4</sub> tetrachloro-substituted tin(IV) phthalocyanine complexes with substituents at peripheral (SnCl<sub>2</sub>PcCl<sub>4</sub>-<i>p</i>) and non-peripheral (SnCl<sub>2</sub>PcCl<sub>4</sub>-<i>np</i>) positions. It was shown that SnCl<sub>2</sub>PcCl<sub>4</sub>-<i>p</i> crystallizes in the <span>(Pbar{1})</span> space group (<i>Z</i> = 1). It contains layer of molecules packed in a brick masonry mode and is isostructural to its fluoro-substituted analog SnCl<sub>2</sub>PcF<sub>4</sub>-<i>p</i>. The SnCl<sub>2</sub>PcCl<sub>4</sub>-<i>np</i> compound crystallizes in the <i>C</i>2/<i>c</i> (<i>Z</i> = 4) space group; its molecules are packed into 2D layers whose structure differs from that of SnCl<sub>2</sub>PcF<sub>4</sub>-<i>np</i>. For both compounds, thin films on glass substrates are prepared by spin coating. It is shown that the phase composition of thin films coincides with that of the initial powder and that films have a distinct preferential orientation [0 0 1] for SnCl<sub>2</sub>PcCl<sub>4</sub>-<i>p</i> and [–1 –1 1] for SnCl<sub>2</sub>PcCl<sub>4</sub>-<i>np</i>, while their molecules are tilted relative to the substrate surface by 72.30(2) and 42.13(1)°, respectively.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 6","pages":"1285 - 1295"},"PeriodicalIF":1.4,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, Crystal Structure, and Structural Features of Solid Solutions Ba(Cr1–xCox)2As2 - New Layered Arsenides with the ThCr2Si2 Structure 具有ThCr2Si2结构的新型层状砷化物Ba(Cr1-xCox)2As2固溶体的合成、晶体结构和结构特征
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2025-07-01 DOI: 10.1134/S0022476625060150
A. A. Gippius, A. V. Mironov, A. I. Shilov, A. V. Tarasov, A. S. Frolov, A. D. Kulik, A. Yu. Makhaneeva, A. V. Bogach, I. V. Morozov
{"title":"Synthesis, Crystal Structure, and Structural Features of Solid Solutions Ba(Cr1–xCox)2As2 - New Layered Arsenides with the ThCr2Si2 Structure","authors":"A. A. Gippius,&nbsp;A. V. Mironov,&nbsp;A. I. Shilov,&nbsp;A. V. Tarasov,&nbsp;A. S. Frolov,&nbsp;A. D. Kulik,&nbsp;A. Yu. Makhaneeva,&nbsp;A. V. Bogach,&nbsp;I. V. Morozov","doi":"10.1134/S0022476625060150","DOIUrl":"10.1134/S0022476625060150","url":null,"abstract":"<p>A series of Ba(Cr<sub>1–<i>x</i></sub>Co<sub><i>x</i></sub>)<sub>2</sub>As<sub>2</sub> solid solutions is obtained for the entire range of compositions as polycrystalline samples (<i>x</i> = 0, 0.2, 0.3, 0.4, 0.6, 0.7, 0.8, 1.0) and single crystals (<i>x</i> = 0.8). By single crystal X-ray diffraction it is found that mixed arsenides Ba(Cr<sub>1–<i>x</i></sub>Co<sub><i>x</i></sub>)<sub>2</sub>As<sub>2</sub> belong to the ThCr<sub>2</sub>Si<sub>2</sub> structure type. They consist of antifluorite-like [<i>T</i>As]<sup>–</sup> layers separated by Ba<sup>2+</sup> cations. The layers are formed by [<i>T</i>As<sub>4</sub>] tetrahedra with common edges, <i>T</i> = Cr, Co atoms statistically occupy sites of the square planar network at <i>T</i>⋯<i>T </i>distances of 2.80-2.82 Å, which assumes the possible magnetic interaction. As cobalt substitutes for chromium, the <i>T</i>–As bond length gradually decreases, which decreases the [<i>T</i>As]<sup>–</sup> layer thickness, with the distance between As atoms from the neighboring layers remaining almost unchanged. The crystal chemical characteristics of Ba(Cr<sub>1–<i>x</i></sub>Co<sub><i>x</i></sub>)<sub>2</sub>As<sub>2</sub> solid solutions are in general well consistent with those of isoelectronic representatives of the 122 family, except BaMn<sub>2</sub>As<sub>2</sub> having a number of significant distinctions in the structure, which is due to a large radius of the Mn<sup>2+</sup> cation (<i>d</i><sup>5</sup>, hs). Based on the obtained structural data, the magnetic behavior of Ba(Cr<sub>1–<i>x</i></sub>Co<sub><i>x</i></sub>)<sub>2</sub>As<sub>2</sub> solid solutions is theoretically evaluated.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 6","pages":"1306 - 1316"},"PeriodicalIF":1.4,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160825","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and Structure of Fe(III) Complexes with 2,1,3-Benzothiadiazole-5,6-Dithiolate 2,1,3-苯并噻唑-5,6-二硫酸铁（III）配合物的合成与结构
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2025-07-01 DOI: 10.1134/S0022476625060058
P. A. Martynenko, D. A. Bashirov, T. S. Sukhikh, S. N. Konchenko
{"title":"Synthesis and Structure of Fe(III) Complexes with 2,1,3-Benzothiadiazole-5,6-Dithiolate","authors":"P. A. Martynenko,&nbsp;D. A. Bashirov,&nbsp;T. S. Sukhikh,&nbsp;S. N. Konchenko","doi":"10.1134/S0022476625060058","DOIUrl":"10.1134/S0022476625060058","url":null,"abstract":"<p>Two new Fe(III) anionic complexes with 2,1,3-benzothiadiazole-5,6-dithiolate (btdt<sup>2–</sup>) isolated as crystalline (PyH)<sub>2</sub>[Fe(btdt)<sub>2</sub>]<sub>2</sub>·2C<sub>3</sub>H<sub>6</sub>O (<b>1</b>·2C<sub>3</sub>H<sub>6</sub>O) and (NBu<sub>4</sub>)<sub>2</sub>[Fe(btdt)<sub>2</sub>]<sub>2</sub>·3THF (<b>2</b>·3THF) solvates are synthesized and characterized by single crystal X-ray diffraction. The anionic unit of these complexes consists of [Fe(btdt)<sub>2</sub>]<sup>–</sup> moieties dimerized in <span>([text{Fe}{{(text{btdt})}_{2}}]_{2}^{2-})</span> bridged through coordination of one sulfur atom of each of the (btdt)<sup>2–</sup>ligands. Finally, in <span>([text{Fe}{{(text{btdt})}_{2}}]_{2}^{2-})</span>, the iron atoms are in a square pyramidal environment of sulfur atoms. The absorption spectra of acetonitrile solutions of compounds <b>1</b> and <b>2</b> demonstrate broad bands with the maxima at 250 nm, 404 nm, 485 nm, and 606 nm covering the entire visible light region.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 6","pages":"1170 - 1178"},"PeriodicalIF":1.4,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160505","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal Chemical Analysis of the Structures of Ni(II) Complexes with β-Diketones and β-Iminoketones Ni（II）与β-二酮和β-亚氨基酮配合物结构的晶体化学分析
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2025-07-01 DOI: 10.1134/S0022476625060125
I. A. Baidina, N. V. Pervukhina, D. V. Kochelakov
{"title":"Crystal Chemical Analysis of the Structures of Ni(II) Complexes with β-Diketones and β-Iminoketones","authors":"I. A. Baidina,&nbsp;N. V. Pervukhina,&nbsp;D. V. Kochelakov","doi":"10.1134/S0022476625060125","DOIUrl":"10.1134/S0022476625060125","url":null,"abstract":"<p>The comparative crystal chemical analysis is performed of Ni(II) complexes with β-diketones and β-iminoketones that we synthesized and those known from the literature. The features of their crystal structures, intermolecular interactions, and molecular packing motifs in the crystals are analyzed. IR spectra of Ni(II) complexes with β-iminoketones are recorded and studied for the first time.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 6","pages":"1262 - 1284"},"PeriodicalIF":1.4,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal Structures of Ag(I) Complexes with Nopinane-Annelated Oxo-4,5-Diazafluoren-9-One and their Electrochemical and Luminescent Properties 银(I)与诺蒎烷-环结氧-4,5-重氮芴-9- 1配合物的晶体结构及其电化学和发光性能
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2025-07-01 DOI: 10.1134/S0022476625060101
T. E. Kokina, L. A. Glinskaya, E. S. Vasilyev, E. A. Artyukha, M. I. Rakhmanova, A. V. Tkachev
{"title":"Crystal Structures of Ag(I) Complexes with Nopinane-Annelated Oxo-4,5-Diazafluoren-9-One and their Electrochemical and Luminescent Properties","authors":"T. E. Kokina,&nbsp;L. A. Glinskaya,&nbsp;E. S. Vasilyev,&nbsp;E. A. Artyukha,&nbsp;M. I. Rakhmanova,&nbsp;A. V. Tkachev","doi":"10.1134/S0022476625060101","DOIUrl":"10.1134/S0022476625060101","url":null,"abstract":"<p>Complexes [Ag(L<sub>N</sub>)<sub>2</sub>]NO<sub>3</sub>∙4H<sub>2</sub>O(<b>I</b>) and [Ag(L<sub>N,N</sub>)<sub>2</sub>]NO<sub>3</sub>·EtOH·H<sub>2</sub>O(<b>II</b>), where L is monodentate (L<sub>N</sub>) or bidentate (L<sub>N,N</sub>) nopinane-annelated oxo-4,5-diazafluoren-9-one are synthesized. The crystal structures of solvatomorphs <b>I</b> and <b>II</b> are composed of [AgL<sub>2</sub>]<sup>+</sup> complex cations, nitrate anions, and H<sub>2</sub>O and EtOH solvate molecules. In complex <b>I</b>, the Ag<sup>+</sup> cation coordinates two N atoms of two monodentate L<sub>N</sub> (c.n. = 2), and in the structure of <b>II</b> there are four N atoms of two bidentate cyclic L<sub>N,N</sub> (c.n. = 4). The compounds are characterized by the elemental analysis, powder X-ray diffraction, and NMR spectroscopy. The electrochemical and luminescent properties of starting compound L and complex <b>II</b> are investigated.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 6","pages":"1229 - 1242"},"PeriodicalIF":1.4,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ion-Exchange Synthesis of Rare-Earth Species of Yttrium Aluminum Garnet on a Cation-Exchange Matrix 稀土钇铝石榴石在阳离子交换基质上的离子交换合成
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2025-07-01 DOI: 10.1134/S0022476625060083
A. V. Shergin, E. A. Belaya
{"title":"Ion-Exchange Synthesis of Rare-Earth Species of Yttrium Aluminum Garnet on a Cation-Exchange Matrix","authors":"A. V. Shergin,&nbsp;E. A. Belaya","doi":"10.1134/S0022476625060083","DOIUrl":"10.1134/S0022476625060083","url":null,"abstract":"<p>The ion-exchange synthesis of Nd<sup>3+</sup> and Eu<sup>3+</sup> ion-doped yttrium aluminum garnet is reported. It involves a pre-synthesized cation-exchange material based on sulfurized polystyrene. All samples are found to crystallize within the garnet structure with symmetry space group <i>Ia</i>3<i>d</i>. Powder X-ray diffraction patterns do not contain maxima corresponding to own REE compounds, which indirectly confirms the formation of solid substitution solutions. The photoluminescence spectra demonstrate emission bands characteristic of trivalent europium ions in the visible spectral range and of neodymium in the nearest IR spectral range respectively.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 6","pages":"1201 - 1210"},"PeriodicalIF":1.4,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Retrieving Data from Crystal Structures of Homoleptic Complexes: Secondary Building Units 从同感配合物的晶体结构中检索数据：次级建筑单元
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2025-07-01 DOI: 10.1134/S0022476625060022
A. P. Shevchenko, A. A. Pershin, E. A. Morkhova
{"title":"Retrieving Data from Crystal Structures of Homoleptic Complexes: Secondary Building Units","authors":"A. P. Shevchenko,&nbsp;A. A. Pershin,&nbsp;E. A. Morkhova","doi":"10.1134/S0022476625060022","DOIUrl":"10.1134/S0022476625060022","url":null,"abstract":"<p>A selection of single-ligand coordination compounds with organic ligands is performed. The influence of the chemical composition and structure of the primary building units (complex-forming atoms, ligands, solvates, and counter ions) on the crystal structure′s periodicity is investigated. A new method of determining the mechanism of topological assembly of secondary building units from the primary building units is proposed. The effectiveness of the proposed method is confirmed on specific examples using statistical treatment of raw data, multilevel topological analysis, and quantum chemical calculations.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 6","pages":"1122 - 1146"},"PeriodicalIF":1.4,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Formation of a Limited Solid Solution in a Crystalline Azide of the 1,5-Dihydro-2H-Pyrrol-2-One Series as a Local Loss of Chiral Discrimination 1,5-二氢- 2h -吡咯-2- 1系列叠氮化物晶体中有限固溶体的形成作为手性判别的局部损失
IF 1.4 4区 化学
Journal of Structural Chemistry Pub Date : 2025-07-01 DOI: 10.1134/S0022476625060162
L. V. Frantsuzova, E. S. Sajgitbatalova, D. P. Gerasimova, A. R. Kurbangalieva, O. A. Lodochnikova
{"title":"Formation of a Limited Solid Solution in a Crystalline Azide of the 1,5-Dihydro-2H-Pyrrol-2-One Series as a Local Loss of Chiral Discrimination","authors":"L. V. Frantsuzova,&nbsp;E. S. Sajgitbatalova,&nbsp;D. P. Gerasimova,&nbsp;A. R. Kurbangalieva,&nbsp;O. A. Lodochnikova","doi":"10.1134/S0022476625060162","DOIUrl":"10.1134/S0022476625060162","url":null,"abstract":"<p>A new nitrogen-containing heterocycle, 4-azido-3-bromine-5-hydroxy-1-(2-hydroxyethyl)-1,5-dihydro-2<i>H</i>-pyrrol-2-one, is prepared by the interaction of a 5-methoxy-2(5<i>H</i>)-furanone 4-azido derivative with 2-aminoethanol. It is established by XRD that this compound crystallizes as a limited solid solution containing equal amounts of hetero- and homochiral H-bonded dimers. It is shown by quantum chemical methods that both dimers are stable and exhibit similar energies of intradimer interactions. The reasons of local chiral discrimination loss are discussed.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 6","pages":"1317 - 1328"},"PeriodicalIF":1.4,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145160824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
首页 上一页 下一页 尾页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：604180095
Book学术官方微信