Aqua(4-fluorobenzoato-κO)bis(1,10-phenanthroline-κ2 N,N′)manganese(II) 4-fluorobenzoate trihydrate

In the title compound, [Mn(C7H4FO2)(C12H8N2)2(H2O)](C7H4FO2)·3H2O, the MnII atom is coordinated by four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from one monodentate 4-fluorobenzoate ion and one water molecule, forming a distorted octahedral geometry. In the crystal, the three components are assembled into a tape structure along the a axis by O—H⋯O and C—H⋯O hydrogen bonds. Between the tapes, a π–π interaction with a centroid–centroid distance of 3.569 (3) Å and a weak C—H⋯F hydrogen bond are observed.

In the title compound, [Mn(C 7 H 4 FO 2 )(C 12 H 8 N 2 ) 2 (H 2 O)]-(C 7 H 4 FO 2 )Á3H 2 O, the Mn II atom is coordinated by four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from one monodentate 4-fluorobenzoate ion and one water molecule, forming a distorted octahedral geometry. In the crystal, the three components are assembled into a tape structure along the a axis by O-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds. Between the tapes, ainteraction with a centroid-centroid distance of 3.569 (3) Å and a weak C-HÁ Á ÁF hydrogen bond are observed.
title compound is similar to the reported structures (Su et al., 2005;Zhang, 2004). In the complex molecule, the Mn II atom is coordinated by four N atoms from two phen ligands, two O atoms respectively from one 4-fluorobenzoate ion and one water molecule to form a distorted MnN 4 O 2 octahedral geometry. The equatorial positions of the Mn II ion are occupied by one carboxylate O atom from the 4-fluorobenzoate ion and three N atoms from different phen molecules, and the axial ones by the other N atom from one phen ligand and one carboxylate O atom from one water molecule. The Mn1-N bond length is 2.245 (4) to 2.338 (4) Å, and Mn1-O bond lengths are 2.100 (3) and 2.126 (3) Å (Fig. 1). In the crystal structure, a tape structure of the three components along the a direction is formed by O-H···O and C-H···O hydrogen bonds (Table 1 and Fig. 2). A π-π stacking interaction between two adjacent phen ligands, with an interplanar distance of 3.389 (2) Å and a centroid-centroid distance of 3.569 (3) Å, and a weak C-H···F interaction are observed between the tapes.

Experimental
MnCl 2 .2H 2 O (0.081 g, 0.50 mmol) was dissolved in appropriate amount of water, and then 1M Na 2 CO 3 solution was added.
MnCO 3 was obtained by filtration, which was then washed with distilled water for 5 times. The freshly prepared MnCO 3 , 4-fluorobenzoic acid (0.070 g, 0.50 mmol), phen.H 2 O (0.099 g, 0.50 mmol), CH 3 OH/H 2 O (v/v = 1:2, 15 ml) were mixed and stirred for 6 h. Subsequently, the resulting cream suspension was heated in a 23 ml Teflon-lined stainless steel autoclave at 453 K for ca. 260 h. After the autoclave was cooled to room temperature, the solid was filtered off. The resulting filtrate was allowed to stand at room temperature, and slow evaporation for a week afforded yellow bulk single crystals.

Refinement
C-bound H atoms were placed in calculated positions (C-H = 0.93 Å) and were refined using the riding-model approximation, with U iso (H) = 1.2U eq (C). H atoms attached to O atoms were found in a difference Fourier map and were refined using a riding model, with the O-H distances fixed as initially found, and with U iso (H) = 1.5U eq (O).