Crystal structure of catena -poly[( μ 2 -isophthalato- k 3 O,O ′ :O ″ )(4-(4-pyridyl)-2,5-dipyrazylpyridine-k 3 N,N ′ ,N ″ )cobalt(II)] trihydrate C 26 H 22 N 6 O 7 Co 1

C 26 H 22 N 6 O 7 Co, triclinic, P 1 (no. 2), a = 9.0033(4) Å, b = 10.1338(5) Å, c = 15.5122(8) Å, α = 96.164(4) ° , β = 100 . 835 ( 4 ) ∘ , γ = 113 . 867 ( 5 ) ∘ , V = 1244.20(11) Å 3 , Z = 2, R gt ( F ) = 0.0473, wR ref

Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Source of material
A mixture of py-pzpypz (4-(4-pyridyl)-2,5-dipyrazylpyridine, 28 mg, 0.1 mmol), H 2 ip (isophthalic acid, 33 mg, 0.2 mmol), Co(OAc) 2 .4H 2 O (52 mg, 0.2 mmol) and H 2 O (10 mL) was stirred for 30 min, and the pH value of the solution was adjusted to about 5 with 1 M KOH.The mixture was transferred to a 25 mL Teflon-lined steel vessel and heated at 140 °C for 3 days, and then cooled to room temperature over 30 h.Red block crystals of the title compound were obtained.

Experimental details
A suitable crystal was selected and determinated on a SU-PERNOVA, Single source at offset/far, EosS2 diffractometer.Using OLEX2 [1], the structure was solved with the SHELXT [2] structure solution program and refined with the SHELXL [3] refinement package.
3 Comment The synthesis of coordination polymers has been a hot topic in recent years, due to their novel structures and a variety potential applications Over the years, arduous effort has been invested in the purposeful design and controllable synthesis of these functional complexes [4][5][6].Generally, the construction of the compounds is primarily dependent upon the advisable selection of the central metal and organic ligands [7][8][9].Among many strategies for constructing coordination polymers, the self-assembly of neutral N-heterocyclic ligands and polycarboxylates with metal ions under hydro(solvo)thermal conditions has become one of the most effective approachs.Terpyridine (tpy) ligands are well-established N-donors, and have therefore long been successfully exploited for the assembly of discrete and polymeric coordination complexes [10].The pyrazine analogues of terpyridine-type ligands have received far less attention with the replacement of one or more pyridine rings by pyrazine rings first reported in 2005 [11].We previously described a 1D Ni(II) polymer (C 26 H 26 NiN 6 O 9 ) [12].
The ORPEP drawing of the title compound is shown in the Figure 1.The structure consists of a [Co(py-pzpypz)(bdc)] moiety and three isolated water molecules.The Co(II) ion has a distorted octahedron environment with three carboxylate oxygen atoms of two different bdc 2− ligands and three chelated nitrogen atoms of the py-pzpypz molecule.The Co-N bond distance vary in the range of 2.0482(19)-2.163(2)Å, and the Co-O bond distances vary in the range of 2.0039(17)-2.2755(16)Å, which are normal bond distances found in other Co complexes [13,14].Adjacent Co(II) ions are connected by the carboxylate arms of the bdc 2− ligands resulting a chain structure.N-containing heteromacrocyclic ligand py-pzpypz is attached to the main chain as side group (Figure 2).
Intermolecular H-bonds are found in the crystal.The intermolecular hydrogen bonds occur between carboxylate oxygen atoms and water molecules.The intermolecular hydrogen bonds also occur among oxygen atoms from water molecules to others.Thereby, the title compound can be viewed as a chain supramolecular architecture (Figure 2) further extended via these hydrogen bonds.

Figure 1 :
Figure 1: Coordination environment of the Co(II) ion in title compound.

Figure 2 :
Figure 2: The 1D chain structure of the title compound.

Table  :
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å  ).