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Crystal structure of polymeric bis-(3-amino-1H-pyrazole)-cadmium dibromide.

ABSTRACT: The reaction of cadmium bromide tetra-hydrate with 3-amino-pyrazole (3-apz) in ethano-lic solution leads to tautomerization of the ligand and the formation of crystals of the title compound, catena-poly[[di-bromido-cadmium(II)]-bis-(μ-3-amino-1H-pyrazole)-κ2 N 3:N 2;κ2 N 2:N 3], [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 mol-ecule. The Cd2+ cations are coordinated by two bromide anions and two 3-apz ligands, generating trans-CdN4Br2 octa-hedra, which are linked into chains by pairs of the bridging ligands. In the crystal, the ligand mol-ecules and bromide anions of neighboring chains are linked through inter-chain hydrogen bonds into a two-dimensional network. The inter-molecular contacts were qu-anti-fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative qu-anti-tative contributions of the weak inter-molecular contacts.

SUBMITTER: Kuzevanova IS 

PROVIDER: S-EPMC10833407 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of polymeric bis-(3-amino-1<i>H</i>-pyrazole)-cadmium dibromide.

Kuzevanova Iryna S IS   Vynohradov Oleksandr S OS   Pavlenko Vadim A VA   Malinkin Sergey O SO   Shova Sergiu S   Fritsky Igor O IO   Seredyuk Maksym M  

Acta crystallographica. Section E, Crystallographic communications 20231114 Pt 12

The reaction of cadmium bromide tetra-hydrate with 3-amino-pyrazole (3-apz) in ethano-lic solution leads to tautomerization of the ligand and the formation of crystals of the title compound, <i>catena</i>-poly[[di-bromido-cadmium(II)]-bis-(μ-3-amino-1<i>H</i>-pyrazole)-κ<sup>2</sup> <i>N</i> <sup>3</sup>:<i>N</i> <sup>2</sup>;κ<sup>2</sup> <i>N</i> <sup>2</sup>:<i>N</i> <sup>3</sup>], [CdBr<sub>2</sub>(C<sub>3</sub>H<sub>5</sub>N<sub>3</sub>)<sub>2</sub>]<sub><i>n</i></sub> or [CdBr<sub>2</sub>(  ...[more]

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