Crystal structure of polymeric bis(3-amino-1-Hpyrazole) cadmium diiodide.

Autor: Kuzevanova, Iryna S., Vynohradov, Oleksandr S., Pavlenko, Vadim A., Malinkin, Sergey O., Shova, Sergiu, Fritsky, Igor O., Seredyuk, Maksym
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Zdroj: Acta Crystallographica Section E: Crystallographic Communications; Jul2024, Vol. 80 Issue 8, p816-sup-3, 7p
Abstrakt: The reaction of cadmium iodide 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[[di­iodido­cadmium(II)]-bis­(μ-3-amino-1H-pyrazole)-κ²N²:N³;κ²N³:N²], [CdI2(C3H5N3)2]n or [CdI2(3-apz)2]n. Its asymmetric unit consists of a half of a Cd2+ cation, an iodide anion and a 3-apz mol­ecule. The Cd2+ cations are coordinated by two iodide anions and two 3-apz ligands, generating trans-CdN4I2 octa­hedra, which are linked into chains by pairs of the bridging ligands. In the crystal, the ligand mol­ecules and iodide anions of neighboring chains are linked through inter­chain hydrogen bonds into a di-periodic 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. [ABSTRACT FROM AUTHOR]
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