Crystal structure of bis[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol]-bis[5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinato]manganese(II), Mn(C13H12F2N6O)2(C15H18N3O3)2

Abstract

C 56 H 60 F 4 MnN 18 O 8 ,triclinic, P1 (no. 2), a =9.7450(6) Å, b =11.2747(6) Å, c =15.2325(8) Å, a =79.072(4)°, b =78.248(4)°, g =65.073(3)°, V =1475.7 Å 3 , Z =1, Source of materialAn ethanol solution of 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol (Fluconazole, HFlu, 0.05 mmol) and 5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid (Imazethapyr, Imaz, 0.05 mmol) were added to asolution of manganese chloride (0.2 mmol) in water (10 ml). Then a purple solution was obtained. The crystals were obtained by evaporating the solution at room temperature for several days. Elemental analysis -found: C, 53.79 %; H, 5.16 %; N, 20.26 %; calculated for C 56H60F4MnN18O8:C ,5 3.84 %; H, 5.13 %; N, 20.19 %. Experimental detailsThe isopropyl, methyl, N12 and O5 of the imidazole ring of the Imaz are disordered with occupancy of 0.5/0.5. . 5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid (IMaz) is an imidazole compound used as aselective herbicide [2]. Both of them would be an interesting candidate to construct coordination polymers, since it combines the features required for coordination to metal ions through nitrogen atoms and oxygen atoms for extended intermolecular interactions. Thus, the HFlu and Imaz ligands are potential to construct adiversity of coordination architectures upon the metal complexation. The crystal structure of the title complex consists of divalent manganese cation coordinated by six Na toms. Two Na toms originate from two triazole of two different HFlu molecules and the other four Natoms are from two different imazethapyr anions (two Natoms from two pyridyl rings and the other two Natoms from two oxo-imidazole rings). The lengths of Ni-Nbonds are in the range of 2.220(2) -2.304(1) Å.The associated angles range from 71.54(5)°to 180.00(5)°.Itindicates that manganese(II) has ad istorted octahedral coordination. The pyridinyl ring C2-C3-C4-C5-C6-N3 and the triazole ring N2-C17-N9-Z. Kristallogr. NCS 225 (2010) 213-215