solvate

The title compound, [Co(SO4)(C12H8N2)2]·C3H8O2, was obtained unexpectedly as a by-product during an attempt to synthesize a mixed-ligand complex of CoII with 1,10-phenanthroline (phen) and melamine via a solvothermal reaction. The CoII metal ions are in a distorted octahedral coordination environment formed by four N atoms from two chelating phen ligands and two O atoms from a bidentate sulfate ligand. The two chelating N2C2 groups are almost perpendicular to each other [dihedral angle = 80.06 (8)°]. A twofold rotation axis passes through the Co and S atoms, and also through the central C atom of the propane-1,3-diol solvent molecule. Intermolecular O—H⋯O hydrogen bonds help to stabilize the structure.

The title compound, [Co(SO 4 )(C 12 H 8 N 2 ) 2 ]ÁC 3 H 8 O 2 , was obtained unexpectedly as a by-product during an attempt to synthesize a mixed-ligand complex of Co II with 1,10phenanthroline (phen) and melamine via a solvothermal reaction. The Co II metal ions are in a distorted octahedral coordination environment formed by four N atoms from two chelating phen ligands and two O atoms from a bidentate sulfate ligand. The two chelating N 2 C 2 groups are almost perpendicular to each other [dihedral angle = 80.06 (8) ]. A twofold rotation axis passes through the Co and S atoms, and also through the central C atom of the propane-1,3-diol solvent molecule. Intermolecular O-HÁ Á ÁO hydrogen bonds help to stabilize the structure.

Comment
Metal-organic complexes have been widely applied in fields of research and production because of their capability of showing novel optical, electronical, magnetical properties. M-phen transition metal complexes (phen = phenantroline) possess important actions in the areas of extraction, plating, bio-inorganic chemistry, analytical chemistry and functional materials (Wang et al., 2000;Li et al., 2004).
Here, we report the crystal structure of the new complex [CoSO 4 (C 12 H 8 N 2 ) 2 ].C 3 H 8 O 2 unexpectedly obtained during an attempt to synthesize a mixed-ligand complex of cobalt with phen and melamine via a solvothermal reaction, which is analogue with a previously reported Co II complex (Zhong et al., 2006).
In the crystal structure of the title complex, the Co II metal ion is six-coordinated in a distorted octahedral environement by four N atoms from two chelating phen ligands and two O atoms from a bidentate-chelating sulfate ligand (Fig. 1) [Zhong et al., 2006]. The dihedral angle between the two chelating N 2 C 2 groups is 80.06 (8)°, this is larger than that found in (II) [70.16 (6)°]. A twofold rotation axis (symmetry code: -x + 1, y, -z + 1/2) passes through the Co and S atoms, and also through the mid-carbon of the propane-1,3-diol solvent molecule. The crystal structure is further stabilized by intermolecular O3-H3B···O2 hydrogen bonds ( Fig. 1 and Table 1).

Experimental
Red prism-shaped crystals of the title compound was unexpectedly obtained as a by-product during an attempt to synthesize a mixed-ligand cobalt complex with phen and melamine via a propane-1,3-diol/water solvothermal reaction. 0.2 mmol phen, 0.1 mmol melamine, 0.1 mmol CoSO 4 .7H 2 O, 2.0 ml 1,3-propanediol and 1.0 ml water were mixed and placed in a thick Pyrex tube, which was sealed and heated to 413 K for 96 h, whereupon red-prisms of the title complex were obtained.

Refinement
The non-H atoms were refined anisotropically. The H atoms of phen were positioned geometrically and allowed to ride on their parent atoms, with C-H = 0.93 Å and U iso (H) = 1.2U eq (C). The H atoms of central C atom of propane-1,3-diol were constrained, with C-H = 0.97 Å and U iso (H) = 1.2U eq (C), whereas other H atoms were placed in geometrically idealized positions and refined as riding atoms, with C-H = 0.97 Å and O-H = 0.82 Å, and with U iso (H) = 1.2U eq (C) and 1.5U eq (O).  Fig. 1. The molecular structure of the title complex showing the atom-numbering scheme and with displacement ellipsoids drawn at the 50% probability level. The dashed lines represent O-H···O interactions. Unlabeled atoms are related to the labelled atoms by the symmetry operator (-x + 1, y, -z + 1/2).