Acta Crystallographica Section E: Crystallographic Communications最新文献_第6页

Bis(tetraethylammonium) dodecacyanododecaborate(2−) Bis (tetra-ethyl-ammonium) dodeca-cyanododecaborate(2 -)。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-09-01 Epub Date: 2026-09-17 DOI: 10.1107/S2056989026008480

Marcus A. Juhasz, Ashlyn A. Kamin

{"title":"Bis(tetraethylammonium) dodecacyanododecaborate(2−)","authors":"Marcus A. Juhasz, Ashlyn A. Kamin","doi":"10.1107/S2056989026008480","DOIUrl":"10.1107/S2056989026008480","url":null,"abstract":"<div><div>The title compound, 2C8H20N+·B12C12N122−, was prepared using microwave-promoted cross-coupling and crystallized from an acetonitrile-water solution. The structure was determined at 101 K, indicating the title compound crystallizes in the trigonal space group P3 and features a B12(CN)122− subunit with nearly icosahedral symmetry. The anionic subunit interacts with the Et4N+ cation in the structure by multiple weak Csp3–H⋯N hydrogen bonds between CN groups on the anion and methyl and methylene H atoms on the cation.</div></div><div>The title compound, 2C8H20N+·B12C12N122−, was prepared using microwave-promoted cross-coupling and crystallized from an acetonitrile-water solution. The structure was determined at 101 K, indicating the title compound crystallizes in the trigonal space group P3 and features a B12(CN)122− subunit with nearly icosahedral symmetry. The anionic subunit interacts with the Et4N+ cation in the structure by multiple weak Csp3–H⋯N hydrogen bonds between CN groups on the anion and methyl and methylene H atoms on the cation.</div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 9","pages":"Pages 1087-1090"},"PeriodicalIF":0.5,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148904902","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 9-(dimethylamino)-1,10-phenanthrolin-1-ium nitrate 9-（二甲基氨基）-1,10-菲罗啉-1-硝酸铵的合成与结构。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-08-01 Epub Date: 2026-08-12 DOI: 10.1107/S2056989026006882

Batirbay Torambetov, Mukhammedaliy Allaniyazov, Jamshid Ashurov, Tuncer Hökelek, Alebel N. Belay, Khudayar I. Hasanov, Narmina A. Guliyeva

引用次数: 0

The adduct of di-μ2-hydroxido-bis[chloridodiphenyltin(IV)] with two molecules of 2-vinylpyridine 二μ2-羟基二氯二苯基锡与两分子2-乙烯基吡啶的合合。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-08-01 Epub Date: 2026-08-12 DOI: 10.1107/S2056989026007152

Tobias Gieschen, Hans Reuter

{"title":"The adduct of di-μ2-hydroxido-bis[chloridodiphenyltin(IV)] with two molecules of 2-vinylpyridine","authors":"Tobias Gieschen, Hans Reuter","doi":"10.1107/S2056989026007152","DOIUrl":"10.1107/S2056989026007152","url":null,"abstract":"<div><div>The solid-state structure of the adduct of diphenyltin(IV) hydroxide chloride, Ph2Sn(OH)Cl, with 2-vinylpyridine, 2Vipy, namely, di-μ-hydroxido-bis[chloridodiphenyltin(IV)]–2-ethenylpyridine (1/2), [Sn2(C6H5)4Cl2(OH)2]·2C7H7N, exhibits dimeric, hydrogen-bonded aggregates [Ph2Sn(OH)Cl·2Vipy]2. The aggregates are non-centrosymmetric but exhibit the characteristic structural features of Brønsted base, BB, stabilized diorganotin(IV) hydroxide-halides, [R2Sn(OH)Hal·BB]2, with trigonal–bipyramidally coordinated tin atoms and two bridging hydroxide groups. Non-centrosymmetry leads to a slightly bent and distorted rhombic, four-membered Sn2—O2 ring consisting of two different tin and oxygen atoms. As usual, Sn—O bond lengths depend on the position the hydroxyl groups adopt within the trigonal–bipyramidal coordination sphere of the Sn atoms [mean values: d(Sn—OH)ax = 2.191 (9) Å, d(Sn—OH)eq = 2.019 (3) Å]. Bond angles within the Sn2—O2 ring are acute [mean value: 71.1 (2)°] at the tin atoms and obtuse [mean value: 108.9 (3)°] at the oxygen atoms. Hydroxyl groups display a trigonal–planar constitution and are involved in hydrogen bonds [mean values: d(O⋯N) = 2.714 (8) Å; <(O—H⋯N) = 170 (5)°] to the N atoms of the 2-vinylpyridine molecules.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 8","pages":"Pages 933-936"},"PeriodicalIF":0.5,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148683194","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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Bis(diallylcarbamodithioato)(quinaldine)zinc(II) 之二(di-allyl-carbamodi-thio-ato) (quinaldine)) (II)。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-08-01 Epub Date: 2026-08-12 DOI: 10.1107/S2056989026007206

Mihai Raduca, Sergiu Shova, Florea Dumitrascu, Constantin Draghici, Madalina Hrubaru

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Three crystal structures of the (4-bromobenzyl)triphenylphosphonium cation with perchlorate, tetrafluoroborate and triiodide anions （4-溴苯基）三苯基磷酸阳离子与高氯酸盐、四氟硼酸盐和三碘离子的三种晶体结构。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-08-01 Epub Date: 2026-08-12 DOI: 10.1107/S2056989026007292

Will Lynch, Clifford Padgett, Kenadee Jones

{"title":"Three crystal structures of the (4-bromobenzyl)triphenylphosphonium cation with perchlorate, tetrafluoroborate and triiodide anions","authors":"Will Lynch, Clifford Padgett, Kenadee Jones","doi":"10.1107/S2056989026007292","DOIUrl":"10.1107/S2056989026007292","url":null,"abstract":"<div><div>The reaction of (4-bromobenzyl)triphenylphosphonium bromide ([4BrBzTPP][Br]) with excess perchloric, tetrafluoroboric or hydroiodic acid in methanol affords the corresponding anion-exchanged salts. X-ray quality crystals of (4-bromobenzyl)triphenylphosphonium perchlorate, C25H21BrP+·ClO4− or [4BrBzTPP][ClO4], (I), (4-bromobenzyl)triphenylphosphonium tetrafluoroborate, C25H21BrP+·BF4− or [4BrBzTPP][BF4], (II), and (4-bromobenzyl)triphenylphosphonium triiodide, C25H21BrI3P+·I3− or [4BrBzTPP][I3], (III), were isolated and characterized by single-crystal X-ray diffraction. Compounds (I) and (II) are isostructural and crystallize in the orthorhombic space group Pbca, whereas compound (III) crystallizes in the monoclinic space group P21/n. In all three structures, the phosphonium cation adopts a tetrahedral geometry at phosphorus, with C—P—C bond angles in the range 106.09 (11)–112.67 (11)°. Hirshfeld surface analyses show that H⋯H and H⋯C contacts dominate the environments of the (4-bromobenzyl)triphenylphosphonium cations, whereas the perchlorate, tetrafluoroborate and triiodide anions are linked to the surrounding cations primarily through H⋯O, H⋯F and H⋯I contacts, respectively.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 8","pages":"Pages 946-951"},"PeriodicalIF":0.5,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148682731","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 structure of pyridinium trichlorido(pyridine-κN)zincate(II) 三氯吡啶-（吡啶-κ n）锌酸盐（II）的合成与结构。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-08-01 Epub Date: 2026-08-12 DOI: 10.1107/S2056989026007061

Guzal Rakhmatova, Iskandar Allaberdiyev, Kyzlarkhan Siddikova, Jasur Makhmayorov, Laylo Parmonova, Anvar Xudoyqulov

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Structural characterization of three norfloxacin salts with N-heterocyclic mono- and dicarboxylic acids 三种含n -杂环单碳氧酸和二碳氧酸的诺氟沙星盐的结构表征。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-08-01 Epub Date: 2026-08-12 DOI: 10.1107/S2056989026007589

Anna Ben, Valeryia Hushcha, Lilianna Chęcińska

{"title":"Structural characterization of three norfloxacin salts with N-heterocyclic mono- and dicarboxylic acids","authors":"Anna Ben, Valeryia Hushcha, Lilianna Chęcińska","doi":"10.1107/S2056989026007589","DOIUrl":"10.1107/S2056989026007589","url":null,"abstract":"<div><div>Cocrystallization of norfloxacin (NFX) with three heterocyclic coformers, namely, pyridine-3,5-dicarboxylic acid, pyridazine-3-carboxylic acid and pyrimidine-5-carboxylic acid, yielded three molecular salts: norfloxacinium [4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium] 5-carboxypyridine-3-carboxylate trihydrate, 2C16H19FN3O3+·2C7H4NO4−·3H2O, (1), norfloxacinium pyridazine-3-carboxylate, C16H19FN3O3+·C5H3N2O2−, (2), and norfloxacinium pyrimidine-5-carboxylate monohydrate, C16H19FN3O3+·C5H3N2O2−·H2O, (3). In all structures, the quinolone skeleton of the norfloxacin cation is essentially planar, while the piperazine ring adopts a chair conformation. The crystal packing is governed primarily by N—H⋯O and N—H⋯N hydrogen bonds, which generate distinct mono-periodic and di-periodic motifs depending on the coformer. These assemblies are further linked by weak C—H⋯O and C—H⋯N interactions into tri-periodic supramolecular networks. The crystal structures are additionally stabilized by aromatic π–π interactions, which differ in their stacking arrangements among the three salts. Hirshfeld surface analysis of the norfloxacin cations shows that H⋯H and O⋯H/H⋯O contacts dominate, whereas variations in the contributions from C⋯C, C⋯H/H⋯C and N⋯H/H⋯N contacts reflect differences in the supramolecular packing.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 8","pages":"Pages 985-991"},"PeriodicalIF":0.5,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148683135","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, structure and energy calculations of 4-{4-[(2,3-dioxoindol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}butyl acetate 4-{4-[（2,3-二氧吲哚-1-基）甲基]- 1h -1,2,3-三唑-1-基}乙酸丁酯的合成、结构和能量计算

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-08-01 Epub Date: 2026-08-12 DOI: 10.1107/S2056989026006985

Sanaa Sabir, Nour El Hoda Mustaphi, Daouda Ballo, Olivier Blacque, Tuncer Hökelek, Nada Kheira Sebbar

{"title":"Synthesis, structure and energy calculations of 4-{4-[(2,3-dioxoindol-1-yl)methyl]-1H-1,2,3-triazol-1-yl}butyl acetate","authors":"Sanaa Sabir, Nour El Hoda Mustaphi, Daouda Ballo, Olivier Blacque, Tuncer Hökelek, Nada Kheira Sebbar","doi":"10.1107/S2056989026006985","DOIUrl":"10.1107/S2056989026006985","url":null,"abstract":"<div><div>The title compound, C17H18N4O4, consists of almost planar isatin and triazole rings inclined by 78.47 (5)°, as well as a butyl acetate moiety bonded to the N atom of the triazole ring. In the crystal, molecules link into a semicolon shape along the b-axis direction through bifurcated C—H⋯O hydrogen bonds. Aromatic π–π and C—H⋯π(ring) interactions also help to consolidate the crystal packing. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (40.6%), H⋯O/O⋯H (26.6%), H⋯N/N⋯H (13.8%) and H⋯C/C⋯H (8.9%) interactions. The volume of the crystal voids and the percentage of free space in the unit cell were calculated to be 82.1 Å3 and 10.0%, respectively, showing that there is no large cavity in the crystal packing. Computational methods revealed C—H⋯O hydrogen-bonding energy of −11.6 kJ mol−1. The evaluation of the electrostatic, dispersion and total energy frameworks indicates that the stabilization is dominated via the dispersion energy contributions in the crystal structure.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 8","pages":"Pages 913-918"},"PeriodicalIF":0.5,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148683189","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 2-amino-4-(3-isobutyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 2-氨基-4-（3-异丁基-1-苯基- 1h -吡唑-4-基）-7,7-二甲基-5-氧-5,6,7,8-四氢-4- h -铬-3-碳腈的合成与晶体结构

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-08-01 Epub Date: 2026-08-12 DOI: 10.1107/S2056989026006973

Hagar T. Salama, Mamdouh A. Abu-Zaied, Rasha A. Azzam, Ali M. S. Hebishy, Galal H. Elgemeie, Peter G. Jones

{"title":"Synthesis and crystal structure of 2-amino-4-(3-isobutyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","authors":"Hagar T. Salama, Mamdouh A. Abu-Zaied, Rasha A. Azzam, Ali M. S. Hebishy, Galal H. Elgemeie, Peter G. Jones","doi":"10.1107/S2056989026006973","DOIUrl":"10.1107/S2056989026006973","url":null,"abstract":"<div><div>The title compound, C25H28N4O2, crystallizes in space group P1 with Z = 4. The two independent molecules are related by the approximate translation (x + 1, y + 1, z), but differ in the orientation of the phenyl substituent. Crystals are non-merohedrally twinned by a 180° rotation about c*. In the modified chromene ring systems, the two formal double bonds are the shortest C—C bonds. The oxo ring displays a flattened boat conformation, whereas the other ring is approximately a flattened envelope, with the CMe2 C atom out of the plane. The molecules are connected by classical N—H⋯Npyrazole hydrogen bonds to form a ribbon of alternating independent molecules parallel to [110]. The ribbons are joined by weak Cpyrazole—H⋯Nnitrile hydrogen bonds to form a layer structure parallel to the ab plane in the region z ≃ 3/4.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 8","pages":"Pages 928-932"},"PeriodicalIF":0.5,"publicationDate":"2026-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148683059","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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Structure of tetrakis(pentafluorophenoxido)bis(tetrahydrofuran)titanium(IV) 四氧基（五氟苯氧基）二氧基（四氢呋喃）钛的结构（IV）。

IF 0.5

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2026-08-01 Epub Date: 2026-08-12 DOI: 10.1107/S2056989026007024

William G. Van Der Sluys

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