Crystal structure of bis[(1-(4-carboxyphenyl)-5-mercapto-1H-tetrazole)-(1,10-phenanthroline)]cadmium(II), Cd(C8H5N4O2S)2(C12H8N2)2

Abstract

Experimental detailsThe hydrogen atoms bound to oxygen atoms were found in the difference Fourier map and refined freely. The hydrogen atoms bound to carbon atoms were included in calculated positions and treated as riding with d(C-H) =0.93 -0.96 Å and U iso(H) =1.2 or 1.5 U eq (C).Discussion 5-Substituted 1H-tetrazoles have demonstrated to be very good ligands for the formation of multidimensional coordination polymers exhibiting agreat structural diversity and interesting optical, magnetic and hydrogen storage properties [1][2][3][4][5][6]. Moreover, many six-or seven-coordinated Cd(II) polymers have recently received attention because of their excellent photo-luminescence properties [7,8].In the title crystal structure, the asymmetric unit consists of one Cd(II) center, two phen molecules, and two Lligands. The Cd(II) ion has ad istorted octahedral environment, defined by four N atoms from two chelating phen molecules and two Satoms from two Ll igands. The Cd-Sb ond lengths are in the range of 2.5735(9) -2.6574(9) Å and The Cd-Nbond lengths are in the range of 2.394(3) -2.416(3) Å,respectively. The Lligand adopts an unidentate coordination mode. The carboxyl and Natoms from Ll igands and Ha toms from phen molecules are involved in intramolecular O-H···O, O-H···N, C-H···Oa nd C-H···N hydrogen bonds, which result in a3Dsupramolecular structure. In addition, the structure also contains p···p stacking interaction betweent he completely parallel phenyl rings of adjacent L ligandswith the centroid-centroid distance of 3.606 Å.