Structure of trans-bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-N1,N'[diaqua- manganese(II) dibromide

Abstract

[Mn(C12H10N6)2(H2O)2]Br2, Mr = 727.28, orthorhombic, Pbca, a = 10.734 (6), b = 17.084 (0), c = 15.182 (6) angstrom, V = 2784 angstrom 3, Z = 4, D(x) = 1.734 g cm-3, lambda-(Mo K-alpha) = 0.71073 angstrom, mu = 33.23 cm-1, F(000) = 1450, T = 295 K, final R = 0.032 for 1493 reflections [I > 2-sigma(I)]. The title compound is the first reported mononuclear compound with the ligand 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole. The manganese ions, situated on an inversion centre, are coordinated by four nitrogen atoms with an N-Mn-N angle of 74.1 (1)-degrees and Mn-N distances of 2.188 (4) and 2.266 (4) angstrom. Two axial water molecules [Mn-O = 2.200 (4) angstrom] complete the coordination sphere of the metal, which is pseudo-octahedral. The two bromide ions are not coordinated but are involved in an extended hydrogen-bridging network with the water ligands and the amino group of the triazole.