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
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 cad...
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International Union of Crystallography
2025-06-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | https://journals.iucr.org/paper?S2056989025003974 |
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| author | R. Santhakumari K. Ramamurthi Manpreet Kaur Jerry P. Jasinski Suresh Sagadevan Helen Stoeckli-Evans |
| author_facet | R. Santhakumari K. Ramamurthi Manpreet Kaur Jerry P. Jasinski Suresh Sagadevan Helen Stoeckli-Evans |
| author_sort | R. Santhakumari |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-6c40e5add69a40d299679b3e184536be |
| institution | OA Journals |
| issn | 2056-9890 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-6c40e5add69a40d299679b3e184536be2025-08-20T02:32:12ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902025-06-0181650550910.1107/S2056989025003974hb8138Bis(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 analysisR. Santhakumari0K. Ramamurthi1Manpreet Kaur2Jerry P. Jasinski3Suresh Sagadevan4Helen Stoeckli-Evans5PG & Research Department of Physics, Kalaignar Karunanidhi Government Arts College for Women (Autonomous), Kalaignar Karunanidhi Government Arts College for Women (Autonomous), Pudukkottai-622001, Tamilnadu, IndiaFormer Professor, Crystal Growth and Thin Film Laboratory, Bharathidasan University, Tiruchirappalli-620024, Tamilnadu, IndiaDepartment of Chemistry, Keene State College, 229 Main Street, Keene, New Hampshire, 03435-2001, USADepartment of Chemistry, Keene State College, 229 Main Street, Keene, New Hampshire, 03435-2001, USANanotechnology and Catalysis Research Centre, Universiti Malaya, Kuala Lumpur-50603, MalaysiaInstitute of Physics, University of Neuchâtel, Rue Emile-Argand 11, CH-2000, Neuchâtel, SwitzerlandIn 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.https://journals.iucr.org/paper?S2056989025003974crystal structurecadmium complexthiosemicarbazidepicratehydrogen bondinghirshfeld surfacefingerprint plots |
| spellingShingle | R. Santhakumari K. Ramamurthi Manpreet Kaur Jerry P. Jasinski Suresh Sagadevan Helen Stoeckli-Evans 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 Acta Crystallographica Section E: Crystallographic Communications crystal structure cadmium complex thiosemicarbazide picrate hydrogen bonding hirshfeld surface fingerprint plots |
| 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| topic | crystal structure cadmium complex thiosemicarbazide picrate hydrogen bonding hirshfeld surface fingerprint plots |
| url | https://journals.iucr.org/paper?S2056989025003974 |
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