Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide
The reaction of cadmium bromide tetrahydrate with 3-aminopyrazole (3-apz) in ethanolic solution leads to tautomerization of the ligand and the formation of crystals of the title compound, catena-poly[[dibromidocadmium(II)]-bis(μ-3-amino-1H-pyrazole)-κ2N3:N2;κ2N2:N3], [CdBr2(C3H5N3)2]n or [CdBr2(3-ap...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2023-12-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989023009751 |
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| author | Iryna S. Kuzevanova Oleksandr S. Vynohradov Vadim A. Pavlenko Sergey O. Malinkin Sergiu Shova Igor O. Fritsky Maksym Seredyuk |
| author_facet | Iryna S. Kuzevanova Oleksandr S. Vynohradov Vadim A. Pavlenko Sergey O. Malinkin Sergiu Shova Igor O. Fritsky Maksym Seredyuk |
| author_sort | Iryna S. Kuzevanova |
| collection | DOAJ |
| description | The reaction of cadmium bromide tetrahydrate with 3-aminopyrazole (3-apz) in ethanolic solution leads to tautomerization of the ligand and the formation of crystals of the title compound, catena-poly[[dibromidocadmium(II)]-bis(μ-3-amino-1H-pyrazole)-κ2N3:N2;κ2N2:N3], [CdBr2(C3H5N3)2]n or [CdBr2(3-apz)2]n. Its asymmetric unit consists of a half of a Cd2+ cation, a bromide anion and a 3-apz molecule. The Cd2+ cations are coordinated by two bromide anions and two 3-apz ligands, generating trans-CdN4Br2 octahedra, which are linked into chains by pairs of the bridging ligands. In the crystal, the ligand molecules and bromide anions of neighboring chains are linked through interchain hydrogen bonds into a two-dimensional network. The intermolecular contacts were quantified using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative quantitative contributions of the weak intermolecular contacts. |
| first_indexed | 2024-03-09T02:45:03Z |
| format | Article |
| id | doaj.art-37015ab3a63e42c192c2f804f3934b44 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-03-09T02:45:03Z |
| publishDate | 2023-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-37015ab3a63e42c192c2f804f3934b442023-12-05T17:04:07ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902023-12-0179121151115410.1107/S2056989023009751tx2078Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromideIryna S. Kuzevanova0Oleksandr S. Vynohradov1Vadim A. Pavlenko2Sergey O. Malinkin3Sergiu Shova4Igor O. Fritsky5Maksym Seredyuk6Department of General and Inorganic Chemistry, National Technical University of Ukraine "Igor Sikorsky Kyiv Polytechnic Institute", Peremogy Pr. 37, 03056, Kyiv, UkraineDepartment of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska Street 64, Kyiv, 01601, UkraineDepartment of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska Street 64, Kyiv, 01601, UkraineDepartment of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska Street 64, Kyiv, 01601, UkraineDepartment of Inorganic Polymers, "Petru Poni" Institute of Macromolecular Chemistry, Romanian Academy of Science, Aleea Grigore Ghica Voda 41-A, Iasi, 700487, RomaniaInnovation Development Center ABN, Pirogov str. 2/37, 01030 Kyiv, UkraineDepartment of Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska Street 64, Kyiv, 01601, UkraineThe reaction of cadmium bromide tetrahydrate with 3-aminopyrazole (3-apz) in ethanolic solution leads to tautomerization of the ligand and the formation of crystals of the title compound, catena-poly[[dibromidocadmium(II)]-bis(μ-3-amino-1H-pyrazole)-κ2N3:N2;κ2N2:N3], [CdBr2(C3H5N3)2]n or [CdBr2(3-apz)2]n. Its asymmetric unit consists of a half of a Cd2+ cation, a bromide anion and a 3-apz molecule. The Cd2+ cations are coordinated by two bromide anions and two 3-apz ligands, generating trans-CdN4Br2 octahedra, which are linked into chains by pairs of the bridging ligands. In the crystal, the ligand molecules and bromide anions of neighboring chains are linked through interchain hydrogen bonds into a two-dimensional network. The intermolecular contacts were quantified using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative quantitative contributions of the weak intermolecular contacts.http://scripts.iucr.org/cgi-bin/paper?S2056989023009751crystal structurecadmium complexcoordination polymerhydrogen bonding |
| spellingShingle | Iryna S. Kuzevanova Oleksandr S. Vynohradov Vadim A. Pavlenko Sergey O. Malinkin Sergiu Shova Igor O. Fritsky Maksym Seredyuk Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide Acta Crystallographica Section E: Crystallographic Communications crystal structure cadmium complex coordination polymer hydrogen bonding |
| title | Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide |
| title_full | Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide |
| title_fullStr | Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide |
| title_full_unstemmed | Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide |
| title_short | Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide |
| title_sort | crystal structure of polymeric bis 3 amino 1h pyrazole cadmium dibromide |
| topic | crystal structure cadmium complex coordination polymer hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989023009751 |
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