发布求助
文献互助 智能选刊 最新文献

Acta Crystallographica Section E: Crystallographic Communications最新文献

筛选
英文 中文
Synthesis and structure of 5,5′-(tris­ulfane-1,3-di­yl)bis­(1,3,4-thia­diazol-2-amine) 5,5'-（三磺基-1,3-二基）二-（1,3,4-硫-二唑-2-胺）的合成与结构
IF 0.5
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026005517
Aziz Atashov, Batirbay Torambetov, Jamshid Ashurov, Tuncer Hökelek, Alebel N. Belay, Asmet N. Azizova
{"title":"Synthesis and structure of 5,5′-(tris­ulfane-1,3-di­yl)bis­(1,3,4-thia­diazol-2-amine)","authors":"Aziz Atashov,&nbsp;Batirbay Torambetov,&nbsp;Jamshid Ashurov,&nbsp;Tuncer Hökelek,&nbsp;Alebel N. Belay,&nbsp;Asmet N. Azizova","doi":"10.1107/S2056989026005517","DOIUrl":"10.1107/S2056989026005517","url":null,"abstract":"<div><div>The title compound, C<sub>4</sub>H<sub>4</sub>N<sub>6</sub>S<sub>5</sub>, consists of two 1,3,4-thia­diazol-2-amine moieties bridged by a tris­ulfanediyl group [S—S—S = 107.98 (6)°]. The conformation is supported by an intra­molecular π–π stacking inter­action. In the crystal, N—H⋯N hydrogen bonds link the mol­ecules, enclosing <em>R</em><sup>2</sup><sub>2</sub>(8) and <em>R</em><sup>5</sup><sub>5</sub>(31) ring motifs, into infinite channels/tubes propagating along the <em>b</em>-axis direction. Hirshfeld surface analysis revealed that the most important contributions for the crystal packing are from S⋯S (33.6%) and H⋯N/N⋯H (32.8%) inter­actions.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 799-802"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389781","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}
引用次数: 0
Synthesis, crystal structure and Hirshfeld surface analysis of a 1:1 salt of sparfloxacin and 4-amino­salicylic acid 司帕沙星- 4-氨基水杨酸1:1盐的合成、晶体结构及赫氏表面分析。
IF 0.5
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026005736
Bhumi C. Patel, Krunal M. Modi, J. Prakasha Reddy
{"title":"Synthesis, crystal structure and Hirshfeld surface analysis of a 1:1 salt of sparfloxacin and 4-amino­salicylic acid","authors":"Bhumi C. Patel,&nbsp;Krunal M. Modi,&nbsp;J. Prakasha Reddy","doi":"10.1107/S2056989026005736","DOIUrl":"10.1107/S2056989026005736","url":null,"abstract":"<div><div>The anhydrous salt of sparfloxacin [5-amino-1-cyclo­propyl-7-(3,5-dimethylpiperazin-1-yl)-6,8-di­fluoro-4-oxo-1,4-di­hydro­quinoline-3-carb­oxy­lic acid] with 4-amino­salicylic acid, C<sub>22</sub>H<sub>22</sub>F<sub>2</sub>N<sub>4</sub>O<sub>3</sub><sup>+</sup>·C<sub>7</sub>H<sub>6</sub>NO<sub>3</sub><sup>−</sup>, features both inter­molecular (N—H⋯O) and intra­molecular (O—H⋯O) inter­actions. In the crystal, two sparfloxacin and two 4-amino­salicylic acid mol­ecules inter­act with each other through N—H⋯O hydrogen bonds, forming an <em>R</em><sup>4</sup><sub>4</sub>(12) ring motif. The network of inter­molecular inter­actions was further examined using Hirshfeld surface analysis and two-dimensional fingerprint plots.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Page 0"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389425","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}
引用次数: 0
Synthesis, characterization, DFT calculations, and crystal structure of [Ru2(O2CCF3)2(CO)4L2]: tri­fluoro­acetate-bridged dimeric ruthenium(I) sawhorse complexes bearing phosphine ligands [Ru2(O2CCF3)2(CO)4 l2]：含膦配体的三氟醋酸酯桥接二聚钌锯锯配合物的合成、表征、DFT计算和晶体结构
IF 0.5
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026006316
Dustin C. Brown, Isaac J. Stern, Richard J. Staples, Alexander R. Keim, Yvonne Nguyen, Thomas J. Malosh
{"title":"Synthesis, characterization, DFT calculations, and crystal structure of [Ru2(O2CCF3)2(CO)4L2]: tri­fluoro­acetate-bridged dimeric ruthenium(I) sawhorse complexes bearing phosphine ligands","authors":"Dustin C. Brown,&nbsp;Isaac J. Stern,&nbsp;Richard J. Staples,&nbsp;Alexander R. Keim,&nbsp;Yvonne Nguyen,&nbsp;Thomas J. Malosh","doi":"10.1107/S2056989026006316","DOIUrl":"10.1107/S2056989026006316","url":null,"abstract":"<div><div>The title compound bis­(μ-tri­fluoro­acetato-κ<sup>2</sup><em>O</em>:<em>O</em>′)bis­{dicarbon­yl[tris­(penta­fluoro­phen­yl)phosphine-κ<em>P</em>}diruthenium(I)(<em>Ru</em>—<em>Ru</em>), [Ru<sub>2</sub>(O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>(CO)<sub>4</sub>{P(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>}<sub>2</sub>] (<strong>1</strong>), has been synthesized by two protocols and its structure has been determined. Compound <strong>1</strong> belongs to a category of dimeric ruthenium complexes that have been shown to catalyze a number of organic, small mol­ecule transformations. In particular, the observed alkene isomerization activity of [Ru<sub>2</sub>(O<sub>2</sub>CCH<sub>3</sub>)<sub>2</sub>(CO)<sub>4</sub>{P(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>}<sub>2</sub>] (<strong>2</strong>) led to the synthesis of <strong>1</strong>, which differs only by its tri­fluoro­acetate bridges. Replacing the terminal, perfluorinated phosphine ligands of <strong>1</strong> and <strong>2</strong> with tri­phenyl­phosphine results in the previously reported complexes [Ru<sub>2</sub>(O<sub>2</sub>CCF<sub>3</sub>)<sub>2</sub>(CO)<sub>4</sub>(PPh<sub>3</sub>)<sub>2</sub>] (<strong>3</strong>) and [Ru<sub>2</sub>(O<sub>2</sub>CCH<sub>3</sub>)<sub>2</sub>(CO)<sub>4</sub>(PPh<sub>3</sub>)<sub>2</sub>] (<strong>4</strong>). Summary crystal data, spectroscopic characteristics, and DFT calculated parameters are presented for <strong>1</strong>–<strong>4</strong>.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 849-853"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389485","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}
引用次数: 0
Crystal structure and Hirshfeld surface analysis of 10-([2,3′-bi­thio­phen]-5′-yl)-5,5-di­fluoro-5H-4λ4,5λ4-di­pyrrolo­[1,2-c:2′,1′-f][1,3,2]di­aza­borinine 10-（[2,3'-双噻吩]-5'-基）-5,5-二氟- 5h -4λ4,5λ -二吡咯-[1,2-c:2',1'-f][1,3,2]二氮杂-硼的晶体结构和Hirshfeld表面分析。
IF 0.5
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S205698902600647X
Darya K. Polyanskaya, Zlata A. Polianskaia, Victor N. Khrustalev, Mehmet Akkurt, Gizachew Mulugeta Manahelohe, Khudayar I. Hasanov, Narmina A. Guliyeva
{"title":"Crystal structure and Hirshfeld surface analysis of 10-([2,3′-bi­thio­phen]-5′-yl)-5,5-di­fluoro-5H-4λ4,5λ4-di­pyrrolo­[1,2-c:2′,1′-f][1,3,2]di­aza­borinine","authors":"Darya K. Polyanskaya,&nbsp;Zlata A. Polianskaia,&nbsp;Victor N. Khrustalev,&nbsp;Mehmet Akkurt,&nbsp;Gizachew Mulugeta Manahelohe,&nbsp;Khudayar I. Hasanov,&nbsp;Narmina A. Guliyeva","doi":"10.1107/S205698902600647X","DOIUrl":"10.1107/S205698902600647X","url":null,"abstract":"<div><div>In the title compound, C<sub>17</sub>H<sub>11</sub>BF<sub>2</sub>N<sub>2</sub>S<sub>2</sub>, the mol­ecular conformation is consolidated by an intra­molecular C—H⋯S inter­action forming an <em>S</em>(6) ring. In the crystal, mol­ecules are linked by C—H⋯F inter­actions, forming a three-dimensional network. The terminal thio­phene ring is disordered in a 0.659 (3):0.341 (3) ratio around the C—C bond that connects the thio­phene rings, with a rotation of approximately 180° around the ring. According to a Hirshfeld surface analysis, H⋯H (34.8%), C⋯H/H⋯C (22.1%) and F⋯H/H⋯F (18.6%) inter­actions are the main contributors to the crystal packing.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 871-876"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389621","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}
引用次数: 0
Synthesis and structure of a 1:1 cocrystal of N,N′-bis­(pyridin-3-ylmeth­yl)pyromellitic di­imide and naphthalene-2,6-di­carb­oxy­lic acid N，N'-二-（吡啶-3-基甲基）二酰亚胺与萘-2,6-二碳水化合物氧酸1:1共晶的合成与结构
IF 0.5
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026006110
Luccile Mbonzhe, Eustina Batisai
{"title":"Synthesis and structure of a 1:1 cocrystal of N,N′-bis­(pyridin-3-ylmeth­yl)pyromellitic di­imide and naphthalene-2,6-di­carb­oxy­lic acid","authors":"Luccile Mbonzhe,&nbsp;Eustina Batisai","doi":"10.1107/S2056989026006110","DOIUrl":"10.1107/S2056989026006110","url":null,"abstract":"<div><div>In the title cocrystal, C<sub>22</sub>H<sub>14</sub>N<sub>4</sub>O<sub>4</sub>·C<sub>12</sub>H<sub>8</sub>O<sub>4</sub>, both components are completed by crystallographic inversion symmetry and the dihedral angle between the central fused ring system and the pendant pyridine ring is 66.21 (5)°. In the extended structure, the components are linked by O—H⋯N hydrogen bonds, generating [001] chains, and the packing is consolidated by π–π stacking and C—H⋯O inter­actions.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 854-857"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389735","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}
引用次数: 0
Solvent-free synthesis and low-temperature crystal structure of pheno­quinone (the 1:2 p-benzo­quinone–phenol complex) 苯酚-醌（1:2对苯醌-苯酚配合物）的无溶剂合成及低温晶体结构。
IF 0.5
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026005414
A. Timothy Royappa, Jake A. Tan, Dean H. Johnston
{"title":"Solvent-free synthesis and low-temperature crystal structure of pheno­quinone (the 1:2 p-benzo­quinone–phenol complex)","authors":"A. Timothy Royappa,&nbsp;Jake A. Tan,&nbsp;Dean H. Johnston","doi":"10.1107/S2056989026005414","DOIUrl":"10.1107/S2056989026005414","url":null,"abstract":"<div><div>A novel solvent-free synthesis of pheno­quinone (the common name for the hydrogen-bonded 1:2 <em>p</em>-benzo­quinone–phenol complex, C<sub>6</sub>H<sub>4</sub>O<sub>2</sub>·2C<sub>6</sub>H<sub>6</sub>O) is reported. This ‘green’ method produces X-ray quality cocrystals of pheno­quinone as red needles within minutes. A newly redetermined and greatly improved low-temperature (100 K) crystal structure is reported. A time-dependent density functional theory examination of the charge-transfer excitation in pheno­quinone accounts for the red color of this hydrogen-bonded complex.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 781-785"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389758","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}
引用次数: 0
Accessible introductory exercises to crystallography databases and basic practices for undergraduate students 易于理解的晶体学数据库入门练习和本科学生的基本实践。
IF 0.5
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026006651
Dylan J. Webb, René T. Boeré, Emily L. Trew, Jarrett O. Hanearin-Balczer, Elise A. Bennett
{"title":"Accessible introductory exercises to crystallography databases and basic practices for undergraduate students","authors":"Dylan J. Webb,&nbsp;René T. Boeré,&nbsp;Emily L. Trew,&nbsp;Jarrett O. Hanearin-Balczer,&nbsp;Elise A. Bennett","doi":"10.1107/S2056989026006651","DOIUrl":"10.1107/S2056989026006651","url":null,"abstract":"<div><div>To adequately prepare and expose undergraduate students to practical crystallography, a set of exercises were designed to showcase the acquisition of data and information for a series of small mol­ecules. This dry-lab was made to be accessible and approachable irrespective of background knowledge on crystallography. Student commentary indicated a desire to learn more about crystallography where the main criticism was around downloading the software <em>Mercury</em>. Inclusion of these exercises did not require any redesign of the laboratory component of the course it was tested in. This work inspires further development of exercises to continue presenting crystallographic data practices to students at the undergraduate level.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 893-898"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389641","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}
引用次数: 0
Synthesis and crystal structure of the cubane-like cluster [(Tp*)MoFe3S3(μ3-Cl)(PMe3)3](BPh4) 类古巴烷簇[(Tp*)MoFe3S3(μ3-Cl)(PMe3)3]（BPh4）的合成与晶体结构
IF 0.5
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026005475
Juan He, Xuan-Yi Chen, Jia Wei, Jie Han, Xu-Dong Chen, Gan Xu
{"title":"Synthesis and crystal structure of the cubane-like cluster [(Tp*)MoFe3S3(μ3-Cl)(PMe3)3](BPh4)","authors":"Juan He,&nbsp;Xuan-Yi Chen,&nbsp;Jia Wei,&nbsp;Jie Han,&nbsp;Xu-Dong Chen,&nbsp;Gan Xu","doi":"10.1107/S2056989026005475","DOIUrl":"10.1107/S2056989026005475","url":null,"abstract":"<div><div>The title compound, μ<sub>3</sub>-chlorido-tri-μ<sub>3</sub>-sulfido-tris­(tri­methyl­phosphine)[tris­(3,5-di­methyl­pyrazol-1-yl)hydro­borato]triiron(II)molybdenum(III) tetra­phenyl­borate, [MoFe<sub>3</sub>S<sub>3</sub>Cl(C<sub>15</sub>H<sub>22</sub>BN<sub>6</sub>)(C<sub>9</sub>H<sub>27</sub>P<sub>3</sub>)](C<sub>24</sub>H<sub>20</sub>B) or [(Tp*)MoFe<sub>3</sub>S<sub>3</sub>(μ<sub>3</sub>-Cl)(PMe<sub>3</sub>)<sub>3</sub>](BPh<sub>4</sub>) [Tp* = tris­(3,5-di­methyl­pyrazol-1-yl)hydro- borate(1-)], crystallizes as block-shaped crystals in space group <em>P</em>1. In this cluster, the Mo site is in a distorted octa­hedral coordination model, coordinating to three N atoms on the Tp* ligand and three μ<sub>3</sub>-bridging S atoms in the core. The Fe sites adopt a distorted tetra­hedral coordination geometry, each coordinating to two μ<sub>3</sub>-bridging S atoms, one μ<sub>3</sub>-bridging Cl atom, and the phospho­rus atom from a tri­methyl­phosphine ligand. This type of heterometallic and heteroleptic single cubane cluster represents a typical example within the Mo–Fe–S cluster family. It may possess unique advantages in the construction of high-nuclearity clusters, and could serve as a potentially controllable reaction inter­mediate for the synthesis of FeMo-co mimics. The residual electron density of disordered solvent mol­ecules in the void space could not be reasonably modeled, thus a solvent mask was applied. The solvent contribution is not included in the reported mol­ecular weight and density.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 786-789"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389763","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}
引用次数: 0
Synthesis and structure of norfloxacinium acetate sesquihydrate 半水合醋酸去氟沙星的合成与结构。
IF 0.5
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026005670
Abdusamat Rasulov, Batirbay Torambetov, Aziza Erejepova, Umidjon Annaev, Jabbor Suyunov, Bekmurod Alimnazarov, Jamshid Ashurov
{"title":"Synthesis and structure of norfloxacinium acetate sesquihydrate","authors":"Abdusamat Rasulov,&nbsp;Batirbay Torambetov,&nbsp;Aziza Erejepova,&nbsp;Umidjon Annaev,&nbsp;Jabbor Suyunov,&nbsp;Bekmurod Alimnazarov,&nbsp;Jamshid Ashurov","doi":"10.1107/S2056989026005670","DOIUrl":"10.1107/S2056989026005670","url":null,"abstract":"<div><div>The title hydrated salt, C<sub>16</sub>H<sub>19</sub>FN<sub>3</sub>O<sub>3</sub><sup>+</sup>·C<sub>2</sub>H<sub>3</sub>O<sub>2</sub><sup>−</sup>·1.5H<sub>2</sub>O, crystallizes with two cations, two anions and three water mol­ecules of crystallization in the asymmetric unit. The protonation of the piperazine secondary amine group of norfloxacin occurs <em>via</em> proton transfer from acetic acid. In the extended structure, the components are linked into chains propagating along the <em>a</em>-axis direction through numerous N—H⋯O and O—H⋯O hydrogen bonds. Hirshfeld surface analysis and two-dimensional fingerprint plots confirm the significant contribution of H⋯O inter­actions to the consolidation of the crystal structure.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 777-780"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389784","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}
引用次数: 0
Synthesis and structure of 4,5-diphenyl-1H-imidazol-3-ium thio­cyanate 4,5-二苯基- 1h -咪唑-3-硫氰酸盐的合成与结构。
IF 0.5
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-07-01 Epub Date: 2026-07-13 DOI: 10.1107/S2056989026005931
Mohamed Abdellatif Bensegueni, Aouatef Cherouana
{"title":"Synthesis and structure of 4,5-diphenyl-1H-imidazol-3-ium thio­cyanate","authors":"Mohamed Abdellatif Bensegueni,&nbsp;Aouatef Cherouana","doi":"10.1107/S2056989026005931","DOIUrl":"10.1107/S2056989026005931","url":null,"abstract":"<div><div>In the title mol­ecular salt, C<sub>15</sub>H<sub>13</sub>N<sub>2</sub><sup>+</sup>·SCN<sup>−</sup>, the dihedral angles between the imidazole ring and pendant phenyl groups are 51.61 (14) and 35.47 (15)°. In the crystal, the ions are linked by N—H⋯N and C—H⋯S hydrogen bonds, forming <em>R</em><sup>4</sup><sub>2</sub>(16) loops. These units are further connected by C—H⋯π and C—S⋯π inter­actions into a three-dimensional supra­molecular network. Hirshfeld surface analysis of the imidazolium cation shows that H⋯H (42.9%), C⋯H/H⋯C (34.9%), N⋯H/H⋯N (10.7%) and H⋯S/S⋯H (6.5%) contacts are the major contributors to the crystal packing.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 7","pages":"Pages 811-815"},"PeriodicalIF":0.5,"publicationDate":"2026-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389791","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}
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
小红书