No abstract

Metal–organic complexes are a class of promising functional materials, especially for thermoelectric materials. Here, for the first time, a new metal–organic complex (Br‐C6H3(I)‐NH2)2CuBr2 is designed and synthesized. (Br‐C6H3(I)‐NH2)2CuBr2 single crystals are obtained via a vapor diffusion method. X‐ray single crystal diffraction results indicate that the material crystallizes in the triclinic system, with the space group P and the following crystal structural data: a = 4.7825(7) Å, b = 8.8072(12) Å, c = 11.4652(16) Å, α = 80.450(5)°, β = 81.699(6)°, γ = 80.824(5)°, V = 466.67(11) Å3, and Z = 1. The structure of packing in the crystal is alternatively arranged composed of inorganic layers of CuBr2 and organic layers of Br‐C6H3(I)‐NH2. The molecular geometries structure of the crystal is discussed via intra and intermolecular interactions and molecular geometry. This work may provide a new material for new emerging high‐performance thermoelectric materials.