R. Santhakumari , K. Ramamurthi , Manpreet Kaur , Jerry P. Jasinski , Suresh Sagadevan , Helen Stoeckli-Evans
{"title":"Bis(μ-巯基氨基脲-κ3 N 1,S:S;κ3 S:N 1,S) Bis -[(二甲基甲酰胺-κ o)(巯基氨基脲-κ2 N 1,S)镉(II)] tetra-kis-(2,4,6-三硝基酚酸盐)的合成、晶体结构和Hirshfeld表面分析。","authors":"R. Santhakumari , K. Ramamurthi , Manpreet Kaur , Jerry P. Jasinski , Suresh Sagadevan , Helen Stoeckli-Evans","doi":"10.1107/S2056989025003974","DOIUrl":null,"url":null,"abstract":"<div><div>The complete binuclear cation of the title complex salt is generated by a crystallographic center of symmetry and features bridging S atoms.</div></div><div><div>In the title complex salt, [Cd<sub>2</sub>(C<sub>3</sub>H<sub>7</sub>NO)<sub>2</sub>(CH<sub>5</sub>N<sub>3</sub>S)<sub>4</sub>](C<sub>6</sub>H<sub>2</sub>N<sub>3</sub>O<sub>7</sub>)<sub>4</sub>, (<strong>I</strong>), the binuclear cation is located about a crystallographic center of symmetry. The asymmetric unit of the complex cation is composed of two bidentate thiosemicarbazide ligands and one molecule of dimethylformamide coordinated to a cadmium(II) atom. The S atom of one of the thiosemicarbazide ligands bridges the cadmium atoms about the inversion center. The positive charge of the complex is balanced by picrate anions. In the crystal, the cation is linked to the picrate anions by side-by-side bifurcated N—H⋯(O,O) hydrogen bonds in which the central O atom acts as a double acceptor for two such bonds, enclosing <em>R</em><sup>1</sup><sub>2</sub>(6) and <em>R</em><sup>2</sup><sub>1</sub>(6) ring motifs. In the crystal, further N—H⋯O hydrogen bonds link the various units to form slabs lying parallel to the (001) plane and the slabs are linked by C—H⋯O hydrogen bonds, thereby forming a three-dimensional network.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 6","pages":"Pages 505-509"},"PeriodicalIF":0.6000,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Bis(μ-thiosemicarbazide-κ3N1,S:S;κ3S:N1,S)bis[(dimethylformamide-κO)(thiosemicarbazide-κ2N1,S)cadmium(II)] tetrakis(2,4,6-trinitrophenolate): synthesis, crystal structure and Hirshfeld surface analysis\",\"authors\":\"R. Santhakumari , K. Ramamurthi , Manpreet Kaur , Jerry P. Jasinski , Suresh Sagadevan , Helen Stoeckli-Evans\",\"doi\":\"10.1107/S2056989025003974\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The complete binuclear cation of the title complex salt is generated by a crystallographic center of symmetry and features bridging S atoms.</div></div><div><div>In the title complex salt, [Cd<sub>2</sub>(C<sub>3</sub>H<sub>7</sub>NO)<sub>2</sub>(CH<sub>5</sub>N<sub>3</sub>S)<sub>4</sub>](C<sub>6</sub>H<sub>2</sub>N<sub>3</sub>O<sub>7</sub>)<sub>4</sub>, (<strong>I</strong>), the binuclear cation is located about a crystallographic center of symmetry. The asymmetric unit of the complex cation is composed of two bidentate thiosemicarbazide ligands and one molecule of dimethylformamide coordinated to a cadmium(II) atom. The S atom of one of the thiosemicarbazide ligands bridges the cadmium atoms about the inversion center. The positive charge of the complex is balanced by picrate anions. In the crystal, the cation is linked to the picrate anions by side-by-side bifurcated N—H⋯(O,O) hydrogen bonds in which the central O atom acts as a double acceptor for two such bonds, enclosing <em>R</em><sup>1</sup><sub>2</sub>(6) and <em>R</em><sup>2</sup><sub>1</sub>(6) ring motifs. In the crystal, further N—H⋯O hydrogen bonds link the various units to form slabs lying parallel to the (001) plane and the slabs are linked by C—H⋯O hydrogen bonds, thereby forming a three-dimensional network.</div></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"81 6\",\"pages\":\"Pages 505-509\"},\"PeriodicalIF\":0.6000,\"publicationDate\":\"2025-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2056989025001082\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989025001082","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Bis(μ-thiosemicarbazide-κ3N1,S:S;κ3S:N1,S)bis[(dimethylformamide-κO)(thiosemicarbazide-κ2N1,S)cadmium(II)] tetrakis(2,4,6-trinitrophenolate): synthesis, crystal structure and Hirshfeld surface analysis
The complete binuclear cation of the title complex salt is generated by a crystallographic center of symmetry and features bridging S atoms.
In the title complex salt, [Cd2(C3H7NO)2(CH5N3S)4](C6H2N3O7)4, (I), the binuclear cation is located about a crystallographic center of symmetry. The asymmetric unit of the complex cation is composed of two bidentate thiosemicarbazide ligands and one molecule of dimethylformamide coordinated to a cadmium(II) atom. The S atom of one of the thiosemicarbazide ligands bridges the cadmium atoms about the inversion center. The positive charge of the complex is balanced by picrate anions. In the crystal, the cation is linked to the picrate anions by side-by-side bifurcated N—H⋯(O,O) hydrogen bonds in which the central O atom acts as a double acceptor for two such bonds, enclosing R12(6) and R21(6) ring motifs. In the crystal, further N—H⋯O hydrogen bonds link the various units to form slabs lying parallel to the (001) plane and the slabs are linked by C—H⋯O hydrogen bonds, thereby forming a three-dimensional network.
期刊介绍:
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.