Journal of Structural Chemistry最新文献_第9页

Ab Initio Studies of the Structures, Electronic and Vibrational Properties of Double Phosphates MCdPO4 (M: Li, Na, Rb, Cs) 双磷酸盐 MCdPO4（M：Li、Na、Rb、Cs）的结构、电子和振动特性的 Ab Initio 研究

IF 0.8 4区化学

Journal of Structural Chemistry Pub Date : 2024-05-21 DOI: 10.1134/s0022476624040176

Yu. N. Zhuravlev

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Photosensitive Memristor Structures Based on Reduced Graphene Oxide and Carbon Nanoparticles 基于还原氧化石墨烯和碳纳米颗粒的光敏记忆器结构

IF 0.8 4区化学

Journal of Structural Chemistry Pub Date : 2024-05-21 DOI: 10.1134/s002247662404019x

A. N. Baranov, N. D. Mityushev, A. A. Firsov, E. N. Kabachkov, G. N. Panin

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Self-Assembled Supramolecular Frameworks and Interaction Energy Studies of Acridine and Dihydroxynaphthalene Based Cocrystals 基于吖啶和二羟基萘的共晶体的自组装超分子框架和相互作用能研究

IF 0.8 4区化学

Journal of Structural Chemistry Pub Date : 2024-05-21 DOI: 10.1134/s0022476624040085

R. Jagan

{"title":"Self-Assembled Supramolecular Frameworks and Interaction Energy Studies of Acridine and Dihydroxynaphthalene Based Cocrystals","authors":"R. Jagan","doi":"10.1134/s0022476624040085","DOIUrl":"https://doi.org/10.1134/s0022476624040085","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3>Three cocrystals of acridine with 2,7-dihydroxynaphthalene (Ia and Ib) in two different polymorphs and 1,5-dihydroxynaphthalene (II) have been synthesized and characterized by single crystal X-ray diffraction method. Two polymorphs of acridine, 2,7-dihydroxynaphthalene cocrystal crystallizes in same space group (Pbar{1}) with different unit-cell parameters. In (Ia) the O–H group form a syn-anti conformation whereas in (Ib) the O–H group form an anti-anti conformation leads to the polymorphic structure of acridine, 2,7-dihydroxynaphthalene. This study reveals that the influence of π⋯π and C–H⋯π interactions in the formation of one-, two-, and three-dimensional supramolecular frameworks when the classical hydrogen bonds such as O–H⋯N and C–H⋯O are limited to discrete motifs. The acridine molecules form continuous π⋯π stacking in the crystal structure of (Ia) and discrete π⋯π stacking in the crystal structure of (Ib) and (II). The conformational flexibility of the substituted hydroxy group has an influence in the supramolecular frameworks of the three-dimensional crystal structure. The intermolecular interaction energy calculation between the molecular pairs has been carried out to study the strength of the interaction and its dependence on the geometrical parameters.","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2024-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141151971","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}

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Crystal Growth and Luminescence Properties of TbGa3(BO3)4 Crystals TbGa3(BO3)4 晶体的晶体生长和发光特性

IF 0.8 4区化学

Journal of Structural Chemistry Pub Date : 2024-05-21 DOI: 10.1134/s0022476624040061

M. I. Rakhmanova, K. A. Kokh, N. G. Kononova, A. B. Kuznetsov

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Retraction Note to: Effects of Substituent Groups on the Crystal Structures and Anti-Cervical Cancer Activity of Zero-/Two-Dimensional Cu(II) Complexes 撤稿说明：取代基对零/二维 Cu(II) 配合物晶体结构和抗宫颈癌活性的影响

IF 0.8 4区化学

Journal of Structural Chemistry Pub Date : 2024-04-30 DOI: 10.1134/s002247662403020x

Y.-H. Li, L.-X. Gai, C.-G. Zhang, C.-C. Zhang, X.-J. Liu, B. Hou, X. Wu

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Crystal Structure of Nilotinib Hydrochloride Monohydrate According to Powder X-Ray Diffraction Data 根据粉末 X 射线衍射数据确定的盐酸尼罗替尼一水合物晶体结构

IF 0.8 4区化学

Journal of Structural Chemistry Pub Date : 2024-04-30 DOI: 10.1134/s0022476624030132

A. S. Goloveshkin, E. S. Kulikova, R. A. Novikov, A. V. Vologzhanina, A. A. Korlyukov

{"title":"Crystal Structure of Nilotinib Hydrochloride Monohydrate According to Powder X-Ray Diffraction Data","authors":"A. S. Goloveshkin, E. S. Kulikova, R. A. Novikov, A. V. Vologzhanina, A. A. Korlyukov","doi":"10.1134/s0022476624030132","DOIUrl":"https://doi.org/10.1134/s0022476624030132","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3>The crystal structure of nilotinib hydrochloride monohydrate, being an active pharmaceutical substance of the drug Tasigna for chronic myeloid leukemia, is determined by powder X-ray diffraction (XRD) using a synchrotron radiation source of the National Research Center “Kurchatov Institute”. The molecular conformation of the cation in the crystal differs from that in the initial nilotinib molecule and its solvates due to the rotation of substituents about single C–N, C–O, and C–C bonds. In the crystal, the nilotinib molecule is protonated at the nitrogen atom of the imidazolium heterocycle and involved in the N–H…N, N–H…O, and N–H…Cl hydrogen bonds with another cation, water molecule, and anion respectively. The resulting structure is determined with high accuracy. Errors in bond lengths are only slightly worse than those for the structures determined from single crystal XRD data. In addition, one of the best values of the half uncertainty window (HUW) is achieved in the refinement. The importance of this parameter is considered in the article. The structure agrees with the solid-state NMR data. The comparison of the results with the solution NMR spectroscopy data reveals noticeable changes in the nilotinib molecular structure during crystallization.","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2024-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140889851","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}

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Retraction Note to: Three New Metal-Organic Coordination Complexes: Crystal Structures and Anticancer Activity in Multiple Myeloma 撤回说明：三种新的金属有机配位配合物：晶体结构和对多发性骨髓瘤的抗癌活性

IF 0.8 4区化学

Journal of Structural Chemistry Pub Date : 2024-04-30 DOI: 10.1134/s002247662403017x

Y.-Y. Yang, J.-H. Yang, D. Wang

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Synthesis and Structure of [{Ln(Me2Si(NMes)2)(THF)2}2(μ-L)2] (L = $$mathbf{BH}_{mathbf{4}}^{-}$$ , Ln = Y, Dy; L = PhS–, Ln = Y, Tb, Dy) Complexes {Ln(Me2Si(NMes)2)(THF)2}2(μ-L)2]（L = $$mathbf{BH}_{mathbf{4}}^{-}$，Ln = Y, Dy；L = PhS-，Ln = Y, Tb, Dy）络合物的合成与结构

IF 0.8 4区化学

Journal of Structural Chemistry Pub Date : 2024-04-30 DOI: 10.1134/s0022476624030090

D. A. Bashirov, D. I. Lashchenko, T. S. Sukhikh, S. N. Konchenko

{"title":"Synthesis and Structure of [{Ln(Me2Si(NMes)2)(THF)2}2(μ-L)2] (L = $$mathbf{BH}_{mathbf{4}}^{-}$$ , Ln = Y, Dy; L = PhS–, Ln = Y, Tb, Dy) Complexes","authors":"D. A. Bashirov, D. I. Lashchenko, T. S. Sukhikh, S. N. Konchenko","doi":"10.1134/s0022476624030090","DOIUrl":"https://doi.org/10.1134/s0022476624030090","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3>New silanediamide complexes of rare-earth elements are synthesized: [{Dy(Me2Si(NMes)2)(THF)2}2(μ-Cl)2] (Dy1), [{Ln(Me2Si(NMes)2)(THF)2}2(μ-BH4)2] (Ln2, Ln = Y, Dy), and [{Ln(Me2Si(NMes)2)(THF)2}2 (μ-SPh)2] (Ln3, Ln = Y, Tb, Dy), Mes = 2,4,6-(CH3)C6H2=mesityl. The compounds are isolated as crystalline phases Dy1, Ln2 (Ln = Y, Dy), Y3·2THF, Tb3·2C7H8, Dy3·2THF, and Dy3·2C7H8 and characterized by single crystal X-ray diffraction. All complexes have a binuclear structure; a silanediamide ligand is chelated to each Ln atom, and Cl–, (text{BH}_{4}^{-}), or SPh– act as bridges. By photoluminescence spectroscopy of the solutions of Tb and Dy complexes in THF it is shown that (Me2Si(NMes)2)2– is an effective ligand antenna, which sensitizes metal-centered emission of these lanthanides.","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":null,"pages":null},"PeriodicalIF":0.8,"publicationDate":"2024-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140835027","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}

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Retraction Note to: A New Co(II)-Containing Coordination Polymer Constructed by the Mixed-Ligand Approach: Crystal Structure and Alleviation of CVB3-Induced Myocarditis by Inhibiting Inflammatory Cytokines Production 撤稿说明：一种通过混合配体方法构建的新型含 Co(II) 配位聚合物：晶体结构和通过抑制炎性细胞因子的产生缓解 CVB3 诱导的心肌炎

IF 0.8 4区化学

Journal of Structural Chemistry Pub Date : 2024-04-30 DOI: 10.1134/s0022476624030235

W.-X. Huo, X.-T. Liu, Z.-F. Zhang, M. Zhao, Q.-S. Zhang

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New ε-Polymorphic Modification of 4-Nitrophenyl-Substituted Nitronylnitroxyl 4-Nitrophenyl-Substituted Nitronylnitroxyl 的新ε-多态性修饰

IF 0.8 4区化学

Journal of Structural Chemistry Pub Date : 2024-04-30 DOI: 10.1134/s0022476624030168

I. V. Fedyanin, A. I. Samigullina, E. V. Tretyakov

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