V. E. Kireev, D. O. Charkin, D. S. Degterev, O. S. Smulskaya, A. N. Gosteva, A. A. Kompanchenko, A. M. Banaru, S. M. Aksenov
{"title":"Synthesis, Crystal Structures, Spectroscopic and Thermal Characterization of Monosubstituted Lead Acetates Pb(XCH2COO)2 (X = Cl, Br, I, OH)","authors":"V. E. Kireev, D. O. Charkin, D. S. Degterev, O. S. Smulskaya, A. N. Gosteva, A. A. Kompanchenko, A. M. Banaru, S. M. Aksenov","doi":"10.1134/S0022476626070012","DOIUrl":"10.1134/S0022476626070012","url":null,"abstract":"<p>The structural, spectroscopic, and thermal properties of monosubstituted Pb(XCH<sub>2</sub>COO)<sub>2</sub> lead acetates (X = Cl (<b>1</b>), Br (<b>2</b>), I (<b>3</b>), and OH (<b>4</b>)) are compared. The crystal structure of <b>2</b> is reported for the first time. The structure of <b>3 </b>is determined at room temperature, while that of <b>4</b> is characterized by higher-resolution diffraction data. The Raman and IR spectra of the entire series are recorded and interpreted for the first time; correlations between the nature of the substituent X and the positions of characteristic vibrational bands are revealed. Thermal behavior of the compounds in argon and air is investigated using simultaneous thermal analysis and gas-phase IR spectroscopy. The decomposition products of <b>1</b>-<b>3</b> are mixtures of the corresponding lead halide and the halogen-richest lead oxohalide. A topological analysis of the structures of <b>1</b>-<b>4</b> demonstrates that the ionic layers in <b>1-3</b> are isotypic, in contrast to the structure of <b>4</b>. When hydrogen bonding is considered, ions in the structure of <b>4</b> form a 3-periodic network of a previously unclassified type.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1439 - 1454"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615088","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}
I. D. Shutilov, P. A. Volodin, A. S. Ovsyannikov, L. V. Frantsuzova, P. V. Dorovatovskiy, A. E. Vandyukov, A. R. Khamatgalimov, S. E. Solovieva, I. S. Antipin
{"title":"Synthesis and Structure of the New Binuclear Complex Based on the o-Xylylenediamine-Supported Salen-Type Ligand with o-Vanillin Moieties","authors":"I. D. Shutilov, P. A. Volodin, A. S. Ovsyannikov, L. V. Frantsuzova, P. V. Dorovatovskiy, A. E. Vandyukov, A. R. Khamatgalimov, S. E. Solovieva, I. S. Antipin","doi":"10.1134/S0022476626070188","DOIUrl":"10.1134/S0022476626070188","url":null,"abstract":"<p>A new binuclear <span>({text{Mn}_{2}^{text{III}}})</span> complex is synthesized. It is based on the salen-type ligand - an <i>o</i>-xylylenediamine derivative containing <i>o</i>-vanillin coordinating fragments. The structure of the obtained complex is analyzed by single crystal and powder X-ray diffraction, IR spectroscopy, mass spectrometry, and thermal gravimetric-differential scanning calorimetry. The band gap energy and localization of frontier orbitals are determined by quantum chemical calculations (DFT).</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1622 - 1633"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148614996","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}
I. Z. Jalolov, K. K. Turgunov, B. Tashkhodzhaev, M. T. Kurbanova, A. A. Abdumamatov, E. O. Terenteva, S. F. Aripova
{"title":"Secondary Metabolites of the Xanthoria elegans Lichen on the Structure of Usnic Acid","authors":"I. Z. Jalolov, K. K. Turgunov, B. Tashkhodzhaev, M. T. Kurbanova, A. A. Abdumamatov, E. O. Terenteva, S. F. Aripova","doi":"10.1134/S0022476626070140","DOIUrl":"10.1134/S0022476626070140","url":null,"abstract":"<p>A number of secondary phenolic metabolites identified with previously characterized substances usnic acid (<b>1</b>), rhein (<b>2</b>), and chrysophanol (<b>3</b>) are isolated for the first time from the <i>Xanthoria elegans</i> lichen collected in the Namangan region of Uzbekistan (Pop district, Chadak village). The obtained usnic acid has a different melting point than that reported earlier in the literature; so the substance was studied by XRD. The difference from the known data is that the isolated usnic acid crystallizes in the <i>P</i>2<sub>1</sub>/<i>c</i> space group, meaning that both (<i>S</i>) and (<i>R</i>)-enantiomers participate in the crystallization process. The presence of a migrating hydrogen atom established experimentally by the difference EP synthesis method and the analysis of valence bond lengths show that the usnic acid molecule can exist in the crystal in the form of two equilibrium keto and enol tautomers. An <i>in vitro</i> study on four cancer cell lines reveals that the extract of <i>X. elegans</i> exhibits slight cytotoxicity against the CCRF-CEM T-lymphoblastic leukemia cell line.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1582 - 1587"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615017","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}
{"title":"The Role of Steric Factors in Conformational Preferences of Alkanes: IQA Analysis","authors":"A. A. Denisova, S. I. Kargov, K. A. Lyssenko","doi":"10.1134/S002247662607005X","DOIUrl":"10.1134/S002247662607005X","url":null,"abstract":"<p>Electron energy partitioning into atomic contributions for butane and methylcyclohexane conformers shows that destabilization of the butane <i>gauche</i> conformer and the axial methylcyclohexane conformer is due to repulsion between hydrogen atoms, and the carbon skeleton contribution is negligibly small. The obtained results allow the discussion about the choice of parameters to be resolved based on the physically substantiated estimation of atomic contributions determined within IQA theory.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1488 - 1493"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615089","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}
A. S. Sukhikh, D. A. Ulybin, I. V. Korolkov, S. V. Sysoev, P. A. Stabnikov, M. A. Bespyatov
{"title":"Phase Transition in Lanthanum Tris(dipivaloylmethanate) near 455 K: Thermal and Structural Analysis","authors":"A. S. Sukhikh, D. A. Ulybin, I. V. Korolkov, S. V. Sysoev, P. A. Stabnikov, M. A. Bespyatov","doi":"10.1134/S0022476626070176","DOIUrl":"10.1134/S0022476626070176","url":null,"abstract":"<p>Thermogravimetric analysis with simultaneous DTA signal recording is performed for lanthanum tris-dipivaloylmethanate, [La(dpm)<sub>3</sub>]<sub>2</sub>. An endothermic effect associated with an irreversible phase transition is revealed in the 455-474 K range. The phase transition temperature of 455.2 ± 0.5 K is established by differential scanning calorimetry. Crystals of the high-temperature phase are obtained from the gas phase by sublimation transport in an evacuated sealed ampoule under a temperature gradient from 470 K to 480 K. It is shown by single-crystal XRD that the observed phase transition is caused by a change in the [La(dpm)<sub>3</sub>]<sub>2</sub> molecular structure. The high‑temperature isomer (triclinic, <i>a</i> = 11.43 Å, <i>b</i> = 12.98 Å, <i>c</i> = 15.14 Å, α = 101.5°, β = 101.0°, γ = 113.6°, <i>V</i> = 1929 Å<sup>3</sup>, <i>Z</i> = 1) is also formed by dimeric molecules, but the coordination environment of the lanthanum atom changes from a distorted trigonal monocapped prism (CN = 7) to a distorted square antiprism (CN = 8), and the number of μ<sub>2</sub>-oxygen atoms increases from 2 to 4.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1611 - 1621"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615001","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}
N. F. Romashev, V. I. Komlyagina, I. V. Bakaev, E. V. Chekhov, A. K. Gukova, A. P. Gorshkov, A. L. Gushchin
{"title":"Heteroleptic Palladium(II) Complexes with Aromatic Acceptor Diimines","authors":"N. F. Romashev, V. I. Komlyagina, I. V. Bakaev, E. V. Chekhov, A. K. Gukova, A. P. Gorshkov, A. L. Gushchin","doi":"10.1134/S0022476626070139","DOIUrl":"10.1134/S0022476626070139","url":null,"abstract":"<p>Mixed ligand complexes [Pd(dpp-bian)(PhenQ)](CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub> (<b>1</b>) and [Pd(tmp-bian)(PhenQ)](CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub> (<b>2</b>) are synthesized by the interaction of [Pd(dpp-bian)Cl<sub>2</sub>] (dpp-bian - 1,2-bis-{(2,6-diisopropylphenyl)imino} acenaphthene) and [Pd(tmp-bian)Cl<sub>2</sub>] (tmp-bian - 1,2-bis-{(2,4,6-trimethylphenyl)imino}acenaphthene) with 1,10-phenanthroline-4,5-dione (phenanthroline quinone, PhenQ) in the presence of silver triflate. The obtained compounds are characterized by the elemental analysis and <sup>1</sup>H NMR spectroscopy. Molecular and crystal structures of <b>1·CH</b><sub><b>2</b></sub><b>Cl</b><sub><b>2</b></sub> and <b>2·Et</b><sub><b>2</b></sub><b>O</b> are determined by the single crystal X-ray diffraction analysis. The electrochemical properties are analyzed by cyclic voltammetry.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1573 - 1581"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615013","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}
N. A. Korobeynikov, A. N. Usoltsev, E. A. Radyush, S. A. Adonin
{"title":"Crystal Structure of Two Bismuth(III) Bromide Complexes with Protonated L-Phenylalanine and L-Ornithine","authors":"N. A. Korobeynikov, A. N. Usoltsev, E. A. Radyush, S. A. Adonin","doi":"10.1134/S0022476626070073","DOIUrl":"10.1134/S0022476626070073","url":null,"abstract":"<p>Coordination compounds (H<sub>3</sub>O)<sub>2</sub>(L-phenH)<sub>2</sub>[Bi<sub>2</sub>Br<sub>10</sub>]·2CH<sub>3</sub>CN <b>(1)</b> and (L-ornH<sub>2</sub>)[BiBr<sub>5</sub>]·CH<sub>3</sub>CN (<b>2</b>) (L-phenH is protonated phenylalanine, L-ornH<sub>2</sub> is protonated ornithine) are synthesized. The structures of the compounds are determined by single crystal X-ray diffraction. The structural features of the obtained compounds are considered.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1506 - 1515"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615083","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}
S. -J. Park, T. A. Pomelova, N. V. Kuratieva, I. Y. Filatova, N. G. Naumov
{"title":"Synthesis, Structural Model, and Optical Properties of Rb3Ln3Zn2S8 (Ln = Eu, Gd, Ho) and Cs0.88Rb2.12Tb3Zn2S8","authors":"S. -J. Park, T. A. Pomelova, N. V. Kuratieva, I. Y. Filatova, N. G. Naumov","doi":"10.1134/S0022476626070085","DOIUrl":"10.1134/S0022476626070085","url":null,"abstract":"<p>The Rb<sub>3</sub>Ln<sub>3</sub>Zn<sub>2</sub>S<sub>8</sub> (Ln = Eu, Gd, Ho) and Cs<sub>0.88</sub>Rb<sub>2.12</sub>Tb<sub>3</sub>Zn<sub>2</sub>S<sub>8</sub> layered compounds are prepared for the first time by a reaction of the corresponding lanthanide sulfides with zinc sulfide, rubidium polysulfide, using RbCl as a flux. The synthesized compounds crystallize in the monoclinic space group <i>C</i>2/<i>m</i>. Their crystal structure can be described as a combination of motifs characteristic of KZrCuS<sub>3</sub> and α-NaFeO<sub>2</sub> structure types. The optical band gaps determined by the Kubelka–Munk method are 1.90 eV (Eu), 3.54 eV (Gd), 3.55 eV (Tb), and 3.42 eV (Ho).</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 7","pages":"1516 - 1525"},"PeriodicalIF":1.5,"publicationDate":"2026-07-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615084","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}
{"title":"Structure of the Immediate Environment of Lanthanide(III) Ions in Oxygen-Containing Solvents","authors":"P. R. Smirnov","doi":"10.1134/S0022476626060065","DOIUrl":"10.1134/S0022476626060065","url":null,"abstract":"<p>Structural characteristics of immediate environments of lanthanide ions in various oxygen-containing solvents are summarized and analyzed based on our XRD studies and on the studies performed earlier by other authors by various methods. Coordination numbers of cations, interparticle distances, and types of ion associations are discussed. The structures of immediate cation environments in water and some non-aqueous media are compared. It is shown that coordination numbers of lanthanide ions in non-aqueous solvents do not decrease in the series from light to heavy ions, in contrast to the case of aqueous solutions. Coordination numbers of lanthanide ions and distances between the ions and oxygen atoms of the coordinated solvent molecules in non-aqueous media are smaller than in water.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 6","pages":"1268 - 1287"},"PeriodicalIF":1.5,"publicationDate":"2026-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148357789","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}
{"title":"Synthesis, Characterization, X-Ray Crystal Structures and Urease Inhibition of Copper(II) Complexes Derived from N’-(2-hydroxy-4-methoxybenzylidene)-4-Methylbenzohydrazide","authors":"L. Chen, C. Liu, Z. Hu, W. Chen","doi":"10.1134/S002247662606003X","DOIUrl":"10.1134/S002247662606003X","url":null,"abstract":"<p>A pair of new copper(II) complexes [CuL(NO<sub>3</sub>)]·CH<sub>3</sub>OH·H<sub>2</sub>O (<b>1</b>) and [CuL(HL)]NO<sub>3</sub>·3CH<sub>3</sub>OH (<b>2</b>), where HL is the aroylhydrazone compound <i>N</i>’-(2-hydroxy-4-methoxybenzylidene)-4-methylbenzohydrazide, and L is its deprotonated form, are prepared by reaction of HL with copper nitrate in 1:1 and 2:1 molar ratio, respectively in methanol. The complexes are characterized by elemental analysis, infrared and electronic spectra, as well as single crystal X-ray determination. Urease inhibitory assay reveals that both complexes have effective activity, with <i>IC</i><sub>50</sub> (half maximal inhibitory concentration) values of 0.17 ± 0.22 μmol/L (<b>1</b>) and 17.2 ± 1.5 μmol/L (<b>2</b>).</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"67 6","pages":"1234 - 1244"},"PeriodicalIF":1.5,"publicationDate":"2026-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148357877","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}