Acta Crystallographica Section E: Crystallographic Communications最新文献_第2页

Crystal structure and Hirshfeld surface analysis of N-(4-nitro-phen-yl)-2-(piperidin-1-yl)acetamide (lidocaine analogue). N-（4-硝基-苯基）-2-（哌啶-1-基）乙酰胺（利多卡因类似物）的晶体结构和Hirshfeld表面分析。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI: 10.1107/S205698902401185X

Imane Maimoune, Benson M Kariuki, Abderrazzak El Moutaouakil Ala Allah, Intissar Nchioua, Abdulsalam Alsubari, Joel T Mague, Abdelkader Zarrouk, Youssef Ramli

引用次数: 0

Synthesis and crystal structure of anti-10-(4-cyano-phen-yl)-10,11,22,23-tetra-hydro-9H,21H-5,8:15,12-bis-(metheno)[1,5,11]tri-aza-cyclo-hexadecino[1,16-a:5,6-a']di-indole di-chloro-methane monosolvate. 反10-（4-氰基苯基）-10,11,22,23-四氢- 9h， 21h -5,8:15,12-双-（甲基）[1,5,11]三氮杂-环十六进制[1,16-a:5,6-a']二吲哚二氯甲烷单溶剂化物的合成与晶体结构

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI: 10.1107/S2056989024011782

Koji Kubono, Keita Tani, Yukiyasu Kashiwagi

{"title":"Synthesis and crystal structure of anti-10-(4-cyano-phen-yl)-10,11,22,23-tetra-hydro-9H,21H-5,8:15,12-bis-(metheno)[1,5,11]tri-aza-cyclo-hexadecino[1,16-a:5,6-a']di-indole di-chloro-methane monosolvate.","authors":"Koji Kubono, Keita Tani, Yukiyasu Kashiwagi","doi":"10.1107/S2056989024011782","DOIUrl":"https://doi.org/10.1107/S2056989024011782","url":null,"abstract":"The asymmetric unit of the title compound is composed of one host mol-ecule, anti-4-(19 H,59 H-3-aza-1,5(3,9)-dicarbazola-cyclo-octa-phane-3-yl)benzo-nitrile and one di-chloro-methane solvate mol-ecule, C36H28N4·CH2Cl2. The host mol-ecule possesses a planar chirality but crystallizes as a racemate in the space group P21/c. It adopts an anti-configuration, in which two carbazole rings are partially overlapped with a parallel orientation. The two carbazole ring systems are slightly bent, and the C atoms at the 3- and 1-positions show the largest deviations from the mean planes. The dihedral angle between two carbazole rings is 9.42 (3)°, forming an intra-molecular parallel π-π inter-action [Cg⋯Cg = 3.2755 (9) Å]. In the crystal, the mol-ecules are linked via host-host and host-guest C-H⋯π inter-actions, forming chain structures along the a-axis direction. The mol-ecules are linked into a ribbon structure along the c-axis direction by further C-H⋯π inter-actions. As a result, The mol-ecules are cross-linked by C-H⋯π inter-actions into a three-dimensional network.","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 Pt 1","pages":"20-23"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701771/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942519","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}

引用次数: 0

A new hydrated crystalline form of N-[(E)-(4-hy-droxy-phen-yl)methyl-idene]-1H-1,2,4-triazol-3-amine and its anti-fungal activity. N-[(E)-（4-羟基苯基）甲基二烯]- 1h -1,2,4-三唑-3胺的水合结晶及其抗真菌活性

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI: 10.1107/S205698902401209X

Boualia Boutheina, Bouhidel Zakaria, Aouatef Cherouana, Bendeif El-Eulmi

引用次数: 0

Crystal structures of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13RS,14SR,15SR,16RS)-13-acet-oxy-16-benzyloxy-15-hy-droxy-7-meth-oxy-meth-oxy-3-oxo-11,15,18,18-tetra-methyl-2,4-dioxa-tetra-cyclo[12.3.1.0^1,5.0^6,11]octa-decan-10-yl benzoate and its 13-epimer. （±）-(1SR,5SR,6SR,7SR,10SR,11SR,13RS,14SR,15SR,16RS)-13-乙酰-氧-16-苄基氧-15-羟基-7-甲-氧-甲-氧-3-氧-11,15,18,18-四甲基-2,4-二氧-四环[12.3.1.01,5.06,11]八癸-10-苯甲酸酯及其13-外映体的晶体结构

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI: 10.1107/S2056989024012234

Takeshi Oishi, Keisuke Fukaya, Takaaki Sato, Noritaka Chida

{"title":"Crystal structures of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13RS,14SR,15SR,16RS)-13-acet-oxy-16-benzyloxy-15-hy-droxy-7-meth-oxy-meth-oxy-3-oxo-11,15,18,18-tetra-methyl-2,4-dioxa-tetra-cyclo[12.3.1.01,5.06,11]octa-decan-10-yl benzoate and its 13-epimer.","authors":"Takeshi Oishi, Keisuke Fukaya, Takaaki Sato, Noritaka Chida","doi":"10.1107/S2056989024012234","DOIUrl":"https://doi.org/10.1107/S2056989024012234","url":null,"abstract":"The title compounds, C38H48O11 (A and B), are tetra-cyclic benzoates composed of a taxane ring with a fused dioxolane ring as the core skeleton. In compound A, the five-membered dioxolane ring is essentially planar while the two cyclo-hexane rings and the cyclo-octane ring adopt chair and chair-chair forms, respectively, and there are three intra-molecular H⋯H short contacts. The corresponding ring conformations in B are similar; however, one intra-molecular C-H⋯O inter-action and two H⋯H short contacts are observed, and the benzoyl and meth-oxy-methyl groups show orientational disorder. In the crystal of A, a pair of inter-molecular O-H⋯O hydrogen bonds link two mol-ecules into an inversion dimer, and weak inter-molecular C-H⋯O inter-actions connect the dimers, forming a three-dimensional network. In the crystal of B, an inversion dimer is similarly generated by a pair of inter-molecular O-H⋯O hydrogen bonds, and weak inter-molecular C-H⋯O and C-H⋯π inter-actions connect the dimers into a three-dimensional architecture.","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 Pt 1","pages":"74-79"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701762/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942513","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}

引用次数: 0

Synthesis, crystal structure and Hirshfeld surface analysis of bis-(acetyl-acetonato-κ² O,O')(2-amino-1-methyl-1H-benzimidazole-κN ³)copper(II). （2-氨基-1-甲基- 1h -苯并咪唑-κ n3）铜的合成、晶体结构及Hirshfeld表面分析。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI: 10.1107/S2056989024011538

Kyzlarkhan Siddikova, Daminbek Ziyatov, Akmaljon Tojiboev, Jamshid Ashurov, Zukhra Kadirova, Shahlo Daminova

引用次数: 0

Crystal structure and Hirshfeld surface analysis of supra-molecular aggregate of 2,2,6,6-tetra-methyl-piperidin-1-ium bromide with 1,2,3,4-tetra-fluoro-5,6-di-iodo-benzene. 2,2,6,6-四甲基哌啶-1-溴化ium与1,2,3,4-四氟-5,6-二碘苯超分子聚集体的晶体结构和Hirshfeld表面分析。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI: 10.1107/S2056989024011502

Atash V Gurbanov, Tuncer Hökelek, Gunay Z Mammadova, Khudayar I Hasanov, Tahir A Javadzade, Alebel N Belay

{"title":"Crystal structure and Hirshfeld surface analysis of supra-molecular aggregate of 2,2,6,6-tetra-methyl-piperidin-1-ium bromide with 1,2,3,4-tetra-fluoro-5,6-di-iodo-benzene.","authors":"Atash V Gurbanov, Tuncer Hökelek, Gunay Z Mammadova, Khudayar I Hasanov, Tahir A Javadzade, Alebel N Belay","doi":"10.1107/S2056989024011502","DOIUrl":"https://doi.org/10.1107/S2056989024011502","url":null,"abstract":"The asymmetric unit of the title compound, C9H20N+·Br-·C6F4I2, contains one 2,2,6,6 tetra-methyl-piperidine-1-ium cation, one 1,2,3,4-tetra-fluoro-5,6-di-iodo-benzene mol-ecule, and one uncoordinated bromide anion. In the crystal, the bromide anions link the 2,2,6,6-tetra-methyl-piperidine mol-ecules by inter-molecular C-H⋯Br and N-H⋯Br hydrogen bonds, leading to dimers, with the coplanar 1,2,3,4-tetra-fluoro-5,6-di-iodo-benzene mol-ecules filling the space between them. There is a π-π interaction between the almost parallel benzene rings [dihedral angle = 10.5 (2)°] with a centroid-to-centroid distance of 3.838 (3) Å and slippage of 1.468 Å. No C-H⋯π(ring) inter-actions are observed. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯F/F⋯H (23.8%), H⋯H (22.6%), H⋯Br/Br⋯H (17.3%) and H⋯I/I⋯H (13.8%) inter-actions. Hydrogen bonding and van der Waals inter-actions are the dominant inter-actions in the crystal packing.","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 Pt 1","pages":"53-57"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701772/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942493","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}

引用次数: 0

Crystal structure of catena-poly[bis-(N,O-di-methyl-hydroxyl-ammonium) [di-μ-bromido-di-bromido-stannate(II)]]. 链链聚[双-（N， o-二甲基羟铵）[二μ-溴-二溴-锡酸盐（II）]]的晶体结构。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI: 10.1107/S2056989024012027

Valerii Y Sirenko, Mircea-Odin Apostu, Irina A Golenya, Dina D Naumova, Sofiia V Partsevska

{"title":"Crystal structure of catena-poly[bis-(N,O-di-methyl-hydroxyl-ammonium) [di-μ-bromido-di-bromido-stannate(II)]].","authors":"Valerii Y Sirenko, Mircea-Odin Apostu, Irina A Golenya, Dina D Naumova, Sofiia V Partsevska","doi":"10.1107/S2056989024012027","DOIUrl":"https://doi.org/10.1107/S2056989024012027","url":null,"abstract":"The title compound, {(C2H8NO)2[SnBr4]} n , is a layered hybrid perovskite crystallizing in the monoclinic space group C2/c. The asymmetric unit consists of one H3C-O-NH2 +-CH3 cation (Me2HA+), one SnII atom located on a twofold rotation axis, and two Br atoms. The SnII atom has a distorted octa-hedral coordination environment formed by the bromido ligands. The {SnBr6} units corner-share their equatorial Br atoms, forming infinite mono-layers that extend parallel to the ab plane. These inorganic layers are sandwiched by the organic Me2HA+ cations organized in double-layers; stacking of the layers is along the c-axis direction. Consecutive inorganic layers, separated by the organic cations, are shifted relative to each other along the b-axis direction. Specifically, the SnII atom in one inorganic layer is offset by 3.148 Å along the b axis relative to the SnII atom in an adjacent inorganic layer. The N,O-di-methyl-hydroxyl-ammonium cation forms two hydrogen bonds with the axial bromide anions of the inorganic layers as acceptors, and leads to the cohesion of the crystal structure. According to Hirshfeld surface analysis, the highest contributions to the crystal packing are from H⋯H (46.2%), Br⋯H (38.5%), and H⋯O (14.8%) contacts.","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 Pt 1","pages":"42-46"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701764/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942500","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}

引用次数: 0

Synthesis, crystal structure and properties of catena-poly[[bis-(4-methyl-pyridine-κN)cobalt(II)]-di-μ-thio-cyanato-κ² N:S;κ² S:N], which shows a rare coordination geometry. 链链聚[[双-（4-甲基吡啶-κN）钴（II）]-di-μ-硫代氰基-κ2 N:S；κ2 S:N]的合成、晶体结构及性能

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI: 10.1107/S2056989024012003

Christian Näther, Jan Boeckmann

{"title":"Synthesis, crystal structure and properties of catena-poly[[bis-(4-methyl-pyridine-κN)cobalt(II)]-di-μ-thio-cyanato-κ2 N:S;κ2 S:N], which shows a rare coordination geometry.","authors":"Christian Näther, Jan Boeckmann","doi":"10.1107/S2056989024012003","DOIUrl":"https://doi.org/10.1107/S2056989024012003","url":null,"abstract":"Reaction of Co(NCS)2 with 4-methyl-pyridine in water leads to the formation of single crystals of the title compound, [Co(NCS)2(C6H7N)2] n . The asymmetric unit consists of two crystallographically independent thio-cyanate anions and two crystallographically independent 4-methyl-pyridine coligands in general positions, as well as of two different CoII cations, of which one is located on a twofold rotational axis, whereas the second occupies a center of inversion. The methyl H atoms in both 4-methyl-pyridine ligands are disordered and were refined using a split model. Both CoII cations are octa-hedrally coordinated by two N- and two S-bonded thio-cyanate anions and two 4-methyl-pyridine coligands and are linked by pairs of 1,3-bridging anionic ligands into chains. Within these chains the cations show an alternating all-trans and cis-cis-trans configuration, which leads to the formation of corrugated chains. Powder X-ray diffraction proves that a pure crystalline phase has been obtained and the values of the CN stretching vibrations of the anionic ligands observed in the IR and the Raman spectra are in agreement with the presence of bridging anionic ligands.","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 Pt 1","pages":"58-62"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701768/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942525","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}

引用次数: 0

Salts of 2-amino-5-iodo-pyridinium. 2-氨基-5-碘吡啶盐。

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-10-31 eCollection Date: 2024-10-01 DOI: 10.1107/S2056989024010259

Benjamin A Mukda, Diane A Dickie, Mark M Turnbull

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Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chloro-phen-yl)meth-yl]-3-methyl-6-oxopyridazin-1-yl}-N-phenyl-acetamide. 2-{4-[（2-氯-苯基）甲基]-3-甲基-6-氧吡嗪-1-基}- n-苯基乙酰胺的合成、晶体结构和Hirshfeld表面分析

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Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-10-31 eCollection Date: 2024-10-01 DOI: 10.1107/S2056989024010296

Hamza Assila, Younes Zaoui, Camille Kalonji Mubengayi, Walid Guerrab, Abdulsalam Alsubari, Joel T Mague, Youssef Ramli, Mhammed Ansar

引用次数: 0