Synthesis and crystal structure of a copper coordination polymer [(Cu(btapo)2BrCH3OH)+Br−]n (btapo=1,3-bis(benzotriazol-1-yl) propan-2-ol)

A new coordination polymer [(Cu(btapo)2BrCH3OH) + Br − ]n (btapo = 1,3-bis(benzotriazol-1-yl) propan-2-ol) was synthesized by the reaction of CuBr2 and btapo, a new ligand synthesized in our laboratory, in THF. Its structure was determined by single-crystal Xray crystallography. It crystallizes in tetragonal I4(1)/a space group with the crystal cell parameters of a = 11.987(9) A, c = 54.24(4) A, V = 7794(10) A 3 , and Z = 8. The crystal X-ray analysis shows that each copper atom is five-coordinated with a bromine atom and four nitrogen atoms from four ligands to form a slightly distorted square pyramid. Each ligand bridges two copper atoms to form a two-strand helical chain. The chains are further extended to a three-dimensional network by the hydrogen bonds between the hydroxyl groups and the bromine anions.