Acta Crystallographica Section E: Crystallographic Communications最新文献_第3页

Synthesis, crystal structure and Hirshfeld surface analysis of 3,3'-[ethane-1,2-diylbis(sulfanedi-yl)]bis-(1H-1,2,4-triazol-5-amine). 3,3'-[乙烷-1,2-二基双（磺胺二基）]二-（1h -1,2,4-三唑-5-胺）的合成、晶体结构和Hirshfeld表面分析。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-04-10 eCollection Date: 2026-05-01 DOI: 10.1107/S2056989026003464

Shakhnoza Mavlonova, Giyosiddin Khayrullaev, Dilnoza Rakhmonova, Mirigul Berdimuratova, Shakhnoza Kadirova, Jamshid Ashurov, Batirbay Torambetov

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Synthesis and structure of (Z)-8-methyl-2-(8-methyl-2,3,4,9-tetra-hydro-carbazol-1-yl-idene)-2,3,4,9-tetra-hydro-carbazol-1-one. (Z)-8-甲基-2-（8-甲基-2,3,4,9-四氢咔唑-1-基二烯）-2,3,4,9-四氢咔唑-1- 1的合成与结构

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-04-10 eCollection Date: 2026-05-01 DOI: 10.1107/S2056989026003427

Makuteswaran Sridharan, Aravazhi Amalan Thiruvalluvar

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Two (methyl-sulfan-yl)benzyl-derivatized palladium-N-heterocyclic carbene complexes - same formula type but not isotypic. 两个（甲基-巯基）苄基衍生化钯- n-杂环碳络合物-分子式相同但不同型。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-04-10 eCollection Date: 2026-05-01 DOI: 10.1107/S2056989026003385

Matthias Weil, Laura Ielo, Prasad M Kathe, Katharina Bica-Schröder

{"title":"Two (methyl-sulfan-yl)benzyl-derivatized palladium-N-heterocyclic carbene complexes - same formula type but not isotypic.","authors":"Matthias Weil, Laura Ielo, Prasad M Kathe, Katharina Bica-Schröder","doi":"10.1107/S2056989026003385","DOIUrl":"https://doi.org/10.1107/S2056989026003385","url":null,"abstract":"Although the two title palladium-N-heterocyclic carbene (Pd-NHC) complexes, namely, di-chlorido-{1-methyl-3-[2-(methyl-sulfan-yl)benz-yl]-2H-imidazol-2-yl-idene-κC 2}(pyridine-κN)palladium(II) and di-bromido-{1-methyl-3-[2-(methyl-sulfan-yl)benz-yl]-2H-imidazol-2-yl-idene-κC 2}(pyridine-κN)palladium(II), have the same formula type [PdX 2(C5H5N)(C12H14N2S)] (X = Cl and Br), and the conformations of the corresponding mol-ecules are very similar, they crystallize in different space-group types: the PdCl2 complex in P1 with Z = 4 and two mol-ecules in the asymmetric unit, and the PdBr2 complex in C2/c with Z = 8 and one mol-ecule in the asymmetric unit. The symmetry relationship between the two crystal structures is of translationengleiche type with index 2 (t2). In both mol-ecular structures, the central palladium(II) atom has a slightly distorted square-planar coordination environment with the C- and N-bound organic ligands in a trans arrangement. In the crystals, weak C-H⋯X inter-actions lead to the formation of supra-molecular layers parallel to (010) for the PdCl2 complex and (100) for the PdBr2 complex.","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 Pt 5","pages":"426-431"},"PeriodicalIF":0.6,"publicationDate":"2026-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13148217/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147832271","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}

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Synthesis and structure of 3-(14H-dibenzo[a,j]xanthen-14-yl)phenyl nicotinate. 3-（14h -二苯并[a，j]杂原-14-基）苯烟酸酯的合成与结构。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-04-10 eCollection Date: 2026-05-01 DOI: 10.1107/S2056989026003415

Ekaterina A Akishina, Artyom A Khadarovich, Mikhail S Grigoriev, Victoria I Salakhova, Tuncer Hökelek, Khudayar I Hasanov, Alebel N Belay

引用次数: 0

Synthesis and crystal structure of bis-[(1E,6E)-1,7-bis-(4-acet-yloxy-3-meth-oxy-phen-yl)hepta-1,6-diene-3,5-dionato(1-)-κ² O,O'](methanol)dioxidouranium(VI) toluene monosolvate. [(1E,6E)-1,7-二-（4-乙酰-基氧基-3-甲氧基-苯基）庚-1,6-二烯-3,5-二氧基(1-)-κ 2o，O']（甲醇）二氧化铀（VI）甲苯单溶剂酯的合成及晶体结构

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-04-02 eCollection Date: 2026-05-01 DOI: 10.1107/S2056989026002525

Van Ha Nguyen, Thi Nguyet Trieu, Chien Thang Pham

{"title":"Synthesis and crystal structure of bis-[(1E,6E)-1,7-bis-(4-acet-yloxy-3-meth-oxy-phen-yl)hepta-1,6-diene-3,5-dionato(1-)-κ2 O,O'](methanol)dioxidouranium(VI) toluene monosolvate.","authors":"Van Ha Nguyen, Thi Nguyet Trieu, Chien Thang Pham","doi":"10.1107/S2056989026002525","DOIUrl":"https://doi.org/10.1107/S2056989026002525","url":null,"abstract":"The first uranium-curcuminoid coordination compound has been synthesized and structurally characterized. The title complex, [U(O)2(C25H23O8)2(CH3OH)]·C6H5CH3, crystallizes in the monoclinic space group C2/c. The neutral complex comprises a uran-yl(VI) unit ({O=U=O}2+) coordinated by two monoanionic bidentate 4,4'-di-acetyl-curcuminato ligands (C25H23O8) and one methanol co-ligand, resulting in a distorted penta-gonal-bipyramidal coordination geometry. The O atoms from the β-diketonate moieties and the methanol mol-ecule form the equatorial plane, while the uranyl O atoms occupy the axial positions. In the crystal, O-H⋯O hydrogen bonds generate R 2 2(26) ring motifs, forming zigzag chains along the a-axis direction. Additional weak C-H⋯O inter-actions further consolidate the crystal packing through inter-chain aggregation.","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 Pt 5","pages":"422-425"},"PeriodicalIF":0.6,"publicationDate":"2026-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13148213/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147832133","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}

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Crystal structure and Hirshfeld surface analysis of 2,6-bis[4-(ethoxycarbonyl)-5-methylpyrazol-1-yl]pyridine 2,6-二-[4-（eth-氧-碳基）-5-甲基吡唑-1-基]吡啶的晶体结构和Hirshfeld表面分析。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-04-01 Epub Date: 2026-04-14 DOI: 10.1107/S2056989026002860

Yevhen Krokhmaliuk , Volodymyr M. Fetyukhin , Yuliya M. Davydenko , Oleksandr S. Vynohradov , Vadim O. Pavlenko , Mircea-Odin Apostu

{"title":"Crystal structure and Hirshfeld surface analysis of 2,6-bis[4-(ethoxycarbonyl)-5-methylpyrazol-1-yl]pyridine","authors":"Yevhen Krokhmaliuk , Volodymyr M. Fetyukhin , Yuliya M. Davydenko , Oleksandr S. Vynohradov , Vadim O. Pavlenko , Mircea-Odin Apostu","doi":"10.1107/S2056989026002860","DOIUrl":"10.1107/S2056989026002860","url":null,"abstract":"<div><div>The synthesis and crystal structure of a new organic compound, 2,6-bis[4-(ethoxycarbonyl)-5-methylpyrazol-1-yl]pyridine is reported. A detailed analysis of the intermolecular contacts in the crystal packing was performed using Hirshfeld surface analysis.</div></div><div><div>The title compound (systematic name: ethyl 1-{6-[4-(ethoxycarbonyl)-5-methylpyrazol-1-yl]pyridin-2-yl}-5-methylpyrazole-4-carboxylate), C19H21N5O4, consists of a central pyridine ring substituted by two functionalized pyrazole rings and crystallizes in the centrosymmetric space group C2/c. The pyridine–pyrazole and pyrazole–pyrazole dihedral angles are 30.55 (5) and 50.81 (8)°, respectively, indicating significant deviations from coplanarity. An intramolecular C—H⋯O hydrogen bond stabilizes the molecular conformation. In the crystal, molecules form columns along the c-axis, but large centroid separations and offsets between parallel pyridine rings contribute to the absence of π–π stacking. Intermolecular C—H⋯N and C—H⋯O hydrogen bonds link molecules into a three-dimensional network. Hirshfeld surface analysis shows that H⋯H contacts dominate the packing (49.9%), with hydrogen-involving interactions contributing over 90% of all contacts. The molecular shape is moderately anisotropic, with globularity and asphericity values of 0.677 and 0.395, respectively. These results highlight the key role of hydrogen-based interactions in directing the supramolecular organization and crystal cohesion.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 4","pages":"Pages 404-407"},"PeriodicalIF":0.6,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147637510","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Synthesis and crystal structure of 4,6-diamino-1-cyclohexyl-1,3,5-triazine-2(1H)-thione monohydrate 一水合4,6-二氨基-1-环己基-1,3,5-三嗪-2(1H)-硫酮的合成与晶体结构

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-04-01 Epub Date: 2026-04-14 DOI: 10.1107/S2056989026002240

Ebtsam A. Ahmed , Benson M. Kariuki , Reham A. Mohamed-Ezzat , Rasha A. Azzam , Galal H. Elgemeie

引用次数: 0

Crystal structure of (Z)-3-{2-[(Z)-11H-indeno[1,2-b]quinoxalin-11-ylidene]hydrazinyl}-N-phenylbut-2-enamide monohydrate (Z)-3-{2-[(Z)- 11h -吲哚[1,2-b]喹啉-11-基烯]肼基}- n-苯基-2-氨基酰胺一水化合物的晶体结构。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-04-01 Epub Date: 2026-04-14 DOI: 10.1107/S2056989026002343

Ghada A. Eldeken , Fatma A. El-Samahy , Ehab M. Zayed , Fayez H. Osman , Khaled Mahmoud , Galal H. Elgemeie , Peter G. Jones

{"title":"Crystal structure of (Z)-3-{2-[(Z)-11H-indeno[1,2-b]quinoxalin-11-ylidene]hydrazinyl}-N-phenylbut-2-enamide monohydrate","authors":"Ghada A. Eldeken , Fatma A. El-Samahy , Ehab M. Zayed , Fayez H. Osman , Khaled Mahmoud , Galal H. Elgemeie , Peter G. Jones","doi":"10.1107/S2056989026002343","DOIUrl":"10.1107/S2056989026002343","url":null,"abstract":"<div><div>The title compound (Z)-3-{2-[(Z)-11H-indeno[1,2-b]quinoxalin-11-ylidene]hydrazinyl}-N-phenylbut-2-enamide monohydrate was synthesized and investigated using SCXRD. Except for the phenyl group, the molecule is almost planar, and includes an intramolecular Nhydrazinyl—H⋯(Ocarbonyl, Nquinoxaline) hydrogen-bond system. Hydrogen bonds combine to form a layer structure.</div></div><div><div>In the title compound, (Z)-3-{2-[(Z)-11H-indeno[1,2-b]quinoxalin-11-ylidene]hydrazinyl}-N-phenylbut-2-enamide monohydrate, C25H19N5O·H2O, the configurations around the C=N and C=C double bonds adjacent to the hydrazinyl moiety are both Z. Except for the phenyl group, the molecule is almost planar, promoted by the three-centre intramolecular Nhydrazinyl—H⋯(Ocarbonyl, Nquinoxaline) hydrogen bond. The water molecule participates in three hydrogen bonds, as donor towards Ocarbonyl (within the asymmetric unit) and the other Nquinoxaline (via an inversion operator) and as acceptor from the amide N—H group (via a b-glide operator). The hydrogen bonds combine to form a layer structure parallel to the ab plane.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 4","pages":"Pages 353-356"},"PeriodicalIF":0.6,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147637487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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A PtS-like 42.84 topology arising from the self-assembly of square-planar nodes via organotin units: synthesis and crystal structure of the metal–organic framework {[(PhCH2)3Sn]2Ni(CN)4}n 方形平面节点通过有机锡单元自组装形成的类pts 42.84拓扑结构：金属-有机骨架{[(PhCH2)3Sn]2Ni(CN)4} n的合成和晶体结构

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-04-01 Epub Date: 2026-04-14 DOI: 10.1107/S2056989026002392

E. Mothi Paul , Helen Stoeckli-Evans

{"title":"A PtS-like 42.84 topology arising from the self-assembly of square-planar nodes via organotin units: synthesis and crystal structure of the metal–organic framework {[(PhCH2)3Sn]2Ni(CN)4}n","authors":"E. Mothi Paul , Helen Stoeckli-Evans","doi":"10.1107/S2056989026002392","DOIUrl":"10.1107/S2056989026002392","url":null,"abstract":"<div><div>The self-assembly of K2[Ni(CN)4] with (PhCH2)3SnCl in a 1:2 molar ratio affords the title three-dimensional coordination polymer. This neutral guest-free metal–organic framework has a three-dimensional connectivity defined by the circuit symbol 42.84.</div></div><div><div>The self-assembly of K2[Ni(CN)4] with (PhCH2)3SnCl in a 1:2 molar ratio affords the title three-dimensional coordination polymer, poly[hexabenzyltetra-μ-cyanato-nickel(II)ditin(IV)], [NiSn2(C7H7)6(CN)4]n or {[(PhCH2)3Sn]2Ni(CN)4}n. The asymmetric unit is composed of four Ni(CN)4 units and eight (PhCH2)3Sn units. This neutral guest-free metal–organic framework (MOF) has a connectivity defined by the circuit symbol 42.84. The same circuit symbol was originally observed for PtS. The nickel(II) atom in each of the four Ni(CN)4 units has a square-planar geometry, while the penta-coordinated Sn atoms have distorted trigonal–pyramidal geometries. The benzyl groups are involved in a number of C—H⋯π interactions, which help to consolidate the framework. There are also two pairs of ring–metal interactions present involving two nickel atoms.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 4","pages":"Pages 357-361"},"PeriodicalIF":0.6,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147637492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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An unusual two-dimensional MOF formed from NiII, thiophene-2,5-dicarboxylate and trans-1,2-bis(pyridin-4-yl)ethylene 由硫代苯基-2,5-二羧酸盐和反式-1,2-二-（吡啶-4-基）乙炔形成的不寻常的二维MOF。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-04-01 Epub Date: 2026-04-14 DOI: 10.1107/S2056989026002276

Chongting Ren , Xu Jia , Luc Van Meervelt

{"title":"An unusual two-dimensional MOF formed from NiII, thiophene-2,5-dicarboxylate and trans-1,2-bis(pyridin-4-yl)ethylene","authors":"Chongting Ren , Xu Jia , Luc Van Meervelt","doi":"10.1107/S2056989026002276","DOIUrl":"10.1107/S2056989026002276","url":null,"abstract":"<div><div>A new NiII MOF, C24H17N3NiO4S·0.205(C3H7NO), was obtained under solvothermal conditions and its structure was determined by single-crystal X-ray diffraction.</div></div><div><div>A new NiII MOF, poly[[sesqui[μ-trans-1,2-bis(pyridin-4-yl)ethylene](μ-thiophene-2,5-dicarboxylato)nickel(II)] dimethylformamide 0.205-solvate], {[Ni(C6H3O4S)(C12H10N2)1.5].0.205C3H7NO}n, was obtained under solvothermal conditions and its structure was determined by single-crystal X-ray diffraction. The structure reveals that Ni nodes are bridged by thiophene-2,5-dicarboxylate (HT) and trans-1,2-bis(pyridin-4-yl)ethylene (Bpe) to generate an unusual two-dimensional layered framework, and the overall crystal is formed by an interlocked stacking of these layers. Topological simplification classifies the framework as a non-interpenetrated 3-nodal (2,2,5)-connected net, in which the Ni-containing node acts as the higher-connected vertex and the two organic ligands serve as 2-connected linkers propagating the connectivity within the layer. The experimental powder X-ray diffraction (PXRD) pattern is in good agreement with that simulated from the single-crystal structure, further confirming that the powder sample is consistent with the single-crystal model and exhibits good phase purity.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 4","pages":"Pages 331-335"},"PeriodicalIF":0.6,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147637512","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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