Crystal structure of pentaaqua(pyridine-3-carboxamide-N)cobalt(II) 1,5-naphthalenedisulfonate monohydrate, [Co(H2O)5(C6H6N2O)](C10H6S2O6) · H2O

C16H24CoN2O13S2, triclinic, P1 (no. 2), a = 9.954(1) Å, b = 10.278(1) Å, c = 11.675(1) Å, + = 95.579(2)°, * = 106.855(2)°, ( = 94.513(2)°, V = 1130.5 Å, Z = 2, Rgt(F) = 0.029, wRref(F) = 0.082, T = 298 K. Source of material Nicotinamide (NA, 0.048 g, 0.4 mmol) was added with constant stirring to an aqueous solution (20 ml) of CoCl2 · 6H2O (0.048 g, 0.2 mmol). The solution was then treated with disodium naphthalene-1,5-disulfonate (1,5-Na2NDS, 0.58 g, 0.2 mmol). Yellow crystals of the title complex were collected after a few days (46 % yield based on Co). Experimental details The C-bound H atoms were geometrically placed (d(C—H) = 0.93 Å) and refined as riding with Uiso(H) = 1.2 Ueq(C). The Obound H atoms were located in difference Fourier maps and refined as riding in their as-found relative positions with Uiso(H) = 1.2 Ueq(O). Discussion Recently, assembling metal complexes through hydrogen bonds to create inorganic-organic hybrid materials has attracted considerable attention [1-8]. However, rationally control of molecular self-assembly into ordered solid state networks with a desired arrangement and dimensionality is a challenge to chemists. In this paper, we chose the appropriate transition metal such as Co with well-defined geometries and organic ligands with the inherent coordination and hydrogen bonding donor/acceptor functionalities, nicotinamides as the strategy to construct extended frameworks to evaluate the effect of intermolecular hydrogen bonds upon the assembly process of complex cations. In the title crystal structure, the Co centre is hexa-coordinated with five aqua ligands and one nicotinamide ligand through the pyridine nitrogen atom, of which one aqua ligand and the nicotinamide ligand are bound to apical positions [d(Co—O) = 2.113(2) Å, d(Co—N) = 2.133(2) Å], other aqua ligands at equatorial positions [d(Co—O) = 2.071(2) 2.113(2) Å], which is similar to those observed in [9]. The 1,5-NDS anion does not participate in the coordination of the Co(II), and has an inversion centre at the midpoint of the central C—C bond. The hexacoordinated Co(II) complexes are connected by hydrogen bonds between amides and the coordinated water molecules [d(O1–H···O7) = 2.686(2) Å, d(O3–H···O7) = 2.849(2) Å] to form infinite chains along [100]. The hydrogen bond motif results in the formations of two unique rings in each chain, C2(16) and C4(12), respectively. In the larger ring, the distance between pyridine rings is 3.35 Å, indicating significant aromatic interactions. Adjacent chains are interlinked by 1,5-NDS ligands via hydrogen bonds between the sulfonate oxygen atoms and the remaining N–H protons on the nicotinamide ligands and the coordinated water molecules, respectively, to generate 2D hydrogen bonded sheets. One kind of the 1,5-NDS ligands behave as pillar to sustain the layers through hydrogen bonds formed between the sulfonate oxygen atoms and the coordinated water molecules and between the sulfonate oxygen atoms and the N–H protons on the nicotinamide ligands to form 3D channel structures. Another kind of 1,5-NDS ligands and the lattice water molecules are located in the channels and make contact with host channels through hydrogen bonding interactions between the sulfonate oxygen atoms and the coordinated water molecules, between the sulfonate oxygen atoms and the lattice water molecules, and between the lattice water molecules and the coordinated water molecules. Z. Kristallogr. NCS 225 (2010) 371-373 / DOI 10.1524/ncrs.2010. 0163 371 © by Oldenbourg Wissenschaftsverlag, München