Synthesis and crystal structure of a new isomer of poly[di-μ3-cyanido-μ-2,6-dimethylpyrazine-dicopper(I)]

The title compound, [Cu2(CN)2(C6H8N2)]n or Cu2(CN)2(2,6-dimethylpyrazine), was prepared by the reaction of copper(I) cyanide with 2,6-dimethylpyrazine in water. Its asymmetric unit consists of two crystallographically independent copper(I) cations and cyanide anions as well as one crystallographical...

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Bibliographic Details
Main Author: Christian Näther
Format: Article
Language:English
Published: International Union of Crystallography 2025-08-01
Series:Acta Crystallographica Section E: Crystallographic Communications
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Online Access:https://journals.iucr.org/paper?S2056989025006267
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Summary:The title compound, [Cu2(CN)2(C6H8N2)]n or Cu2(CN)2(2,6-dimethylpyrazine), was prepared by the reaction of copper(I) cyanide with 2,6-dimethylpyrazine in water. Its asymmetric unit consists of two crystallographically independent copper(I) cations and cyanide anions as well as one crystallographically independent 2,6-dimethylpyrazine ligand in general positions. Each copper cation is fourfold coordinated by one N atom of the 2,6-dimethylpyrazine ligand and three cyanide anions, that are disordered so that each C and N position has mixed occupancy with a ratio between N and C of 94:6 and 77:23. The copper cations are linked by the cyanide atoms into layers that are further connected into a 3D network by the 2,6-dimethylpyrazine ligands. Powder X-ray diffraction (PXRD) proves that a pure crystalline phase has been obtained. It is noted that this crystal structure represents a new isomer of Cu2(CN)2(2,6-dimethylpyrazine), which has already been reported in the literature [Chesnut et al. (2001). J. Chem. Soc. Dalton Trans. pp. 2567–2580].
ISSN:2056-9890