A New Metal–Organic Complex (Br‐C6H3(I)‐NH2)2CuBr2: Growth and Structural Properties

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‐C 6 H 3 (I)‐NH 2 ) 2 CuBr 2 is designed and synthesized. (Br‐C 6 H 3 (I)‐NH 2 ) 2 CuBr 2 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) Å 3 , and Z = 1. The structure of packing in the crystal is alternatively arranged composed of inorganic layers of CuBr 2 and organic layers of Br‐C 6 H 3 (I)‐NH 2 . 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.