Diaquabis(1 H -imidazole-4-carboxylato-κ 2 N 3 , O )cobalt(II) (original) (raw)
Diaquabis(1H-imidazole-4-carboxylato-[kappa]2N3,O)cobalt(II)
Acta Crystallographica Section E Structure Reports Online
The title compound, [Co(C4H3N2O2)2(H2O)2], contains a CoII cation on a twofold rotation axis, exhibiting a distorted octahedral coordination geometry. The equatorial plane is formed by two N,O-bidentate 1H-imidazole-4-carboxylate ligands and the axial positions are occupied by water molecules. The crystal packing consists of a three-dimensional network stabilized by O—H⋯O and N—H⋯O hydrogen bonds, together with weak π–π interactions [centroid–centroid distance = 3.577 (2) Å] between the imidazole rings.
Acta Crystallographica Section E Structure Reports Online, 2012
In the title compound, [Co(C8H4O4)(C3H4N2)3(H2O)2]·H2O, thecisoidangles are in the range 85.59 (5)–93.56 (5)°, while two equaltransoidangles deviate significantly from the ideal linear angle, the third being almost linear. One carboxylate group is almost coplanar [1.23 (13)°] with the plane of its parent aromatic ring, although it has one O-atom donor involved in one coordination and one hydrogen bond as acceptor. The other carboxylate group does not coordinate and is rotated out of this plane with a torsional twist of 17.27 (20)°. The coordination neutral entity, based on aqua ligands and two cyclic co-ligands seems, at first sight, monomeric. Strongly tight,viaone intramolecular hydrogen bond between aqua and carboxylate O atoms, it brings out a quasi-planar six-membered ring around the CoIIatom, turning the CoN3O3coordination octahedron into a new building block. The rigidity of this feature associated with several hydrogen-bonded arrays yields an extended structure. In the resul...
Diaquabis(4-methylaminobenzoato-κO)bis(nicotinamide-κN1)cobalt(II)
Acta Crystallographica Section E Structure Reports Online, 2010
The asymmetric unit of the title Co II complex, [Co(C 8 H 8-NO 2) 2 (C 6 H 6 N 2 O) 2 (H 2 O) 2 ], contains two half complex molecules with similar structures. The Co II atoms are each located on an inversion center and each is coordinated by two 4methylaminobenzoate (PMAB), two nicotinamide (NA) ligands and two water molecules in a distorted octahedral coordination. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 3.0 (3) and 2.54 (19) , while the pyridine and benzene rings are oriented at dihedral angles of 67.40 (8) and 66.25 (8). In the crystal structure, intermolecular O-HÁ Á ÁO and N-HÁ Á ÁO hydrogen bonds link the molecules into a supramolecular structure. Symmetry codes: (i) Àx þ 1; Ày þ 1; Àz; (ii) Àx þ 1; Ày þ 1; Àz þ 1; (iii) x; y þ 1; z; (iv) Àx þ 2; Ày þ 2; Àz; (v) Àx þ 2; Ày þ 1; Àz þ 1; (vi) x À 1; y; z.
Diaquabis[4-(dimethylamino)benzoato]-κ 2 O , O ′;κ O -(isonicotinamide-κ N 1 )cobalt(II)
Acta Crystallographica Section E Structure Reports Online, 2009
The title CoII complex, [Co(C9H10NO2)2(C6H6N2O)(H2O)2], contains two 4-dimethylaminobenzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water molecules. One of the DMAB anions acts as a bidentate ligand, while the other is monodentate. The four O atoms in the equatorial plane around the Co atom form a highly distorted square-planar arrangement, while the distorted octahedral coordination geometry is completed by the N atom of the INA ligand and the O atom of the second water molecule in the axial positions. An intramolecular O—H...O hydrogen bond between the monodentate-coordinated carboxyl group and a coordinated water molecule results in a six-membered ring with an envelope conformation. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 4.29 (10)° for the monodentate ligand and 2.31 (13)° for the bidentate ligand, while the two benzene rings are oriented at a dihedral angle of 65.02 (5)°. The dihedral angles between the pyr...
Acta Crystallographica Section E Crystallographic Communications, 2015
The asymmetric unit of the title compound, [Co(C 2 H 6 N 5 ) 2 -(H 2 O) 4 ][Co(C 7 H 3 NO 4 ) 2 ] 2 Á2H 2 O, features 1.5 Co II ions (one anionic complex and one half cationic complex) and one water molecule. In the cationic complex, the Co II atom is located on an inversion centre and is coordinated by two triazolium cations and four water molecules, adopting an octahedral geometry where the N atoms of the two triazolium cations occupy the axial positions and the O atoms of the four water molecules the equatorial positions. The two triazole ligands are parallel offset (with a distance of 1.38 Å between their planes). In the anionic complex, the Co II ion is six-coordinated by two N and four O atoms of the two pyridine-2,6dicarboxylate anions, exhibiting a slightly distorted octahedral coordination geometry in which the mean plane of the two pyridine-2,6-dicarboxylate anions are almost perpendicular to each other, making a dihedral angle of 85.87 (2) . In the crystal, molecules are linked into a three-dimensional network via C-HÁ Á ÁO, C-HÁ Á ÁN, O-HÁ Á ÁO and N-HÁ Á ÁO hydrogen bonds.
Crystal structure oftrans-diaquabis(4-cyanobenzoato-κO)bis(nicotinamide-κN1)cobalt(II)
Acta Crystallographica Section E Crystallographic Communications, 2015
In the title complex, [Co(C8H4NO2)2(C6H6N2O)2(H2O)2], the CoIIatom is located on an inversion centre and is coordinated by two 4-cyanobenzoate (CNB) anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination sphere is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 22.11 (15)°, while the pyridine and benzene rings are oriented at a dihedral angle of 89.98 (5)°. In the crystal, intermolecular N—H...O and O—H...O hydrogen bonds link the molecules, enclosingR22(8) andR44(8) ring motifs, forming layers parallel to (100). The layers are linkedviaC—H...O and C—H...N hydrogen bonds, resulting in a three-dimensional network. A weak C—H...π interaction is also observed.
Crystal structure of diaquabis(4-tert-butylbenzoato-κO)bis(nicotinamide-κN1)cobalt(II) dihydrate
Acta Crystallographica Section E Crystallographic Communications, 2016
The asymmetric unit of the mononuclear cobalt complex, [Co(C11H13O2)2(C6H6N2O)2(H2O)2]·2H2O, contains one half of the complex molecule, one coordinating and one non-coordinating water molecule, one 4-tert-butylbenzoate (TBB) ligand and one nicotinamide (NA) ligand; the Co atom lies on an inversion centre. All ligands coordinating to the Co atom are monodentate. The four nearest O atoms around the Co atom form a slightly distorted square-planar arrangement, with the distorted octahedral coordination completed by the two pyridine N atoms of the NA ligands at distances of 2.1638 (11) Å. The coordinating water molecules are hydrogen bonded to the carboxyl O atoms [O ... O = 2.6230 (17) Å], enclosing anS(6) hydrogen-bonding motif, while intermolecular O—H...O hydrogen bonds link two of the non-coordinating water molecules to the coordinating water molecules and NA anions. The dihedral angle between the planar carboxylate group and the adjacent benzene ring is 29.09 (10)°, while the benze...
2008
The title compound, [Co3Na2(C72ClNO4)4(H2O)12][Co(C7H2ClNO4(H2O)3]2·6H2O, consists of a centrosymmetric dimer of [CoII(dipicCl)2]2- complex dianions [dipicCl is 4-chloropyridine-2,6-dicarboxylate] bridged by an [Na2CoII(H2O)12]4+ tetracationic cluster, two independent [Co(dipicCl)(H2O)3] complexes, and six water molecules of crystallization. The metals are all six-coordinate with distorted octahedral geometries. The [CoII(dipicCl)(H2O)3] complexes are neutral, with one tridentate ligand and three water molecules. The [CoII(dipicCl)2]2- complexes each have two tridentate ligands. The [Na2CoII(H2O)12]4+ cluster has a central CoII ion which is coordinated to six water molecules and lies on a crystallographic inversion center. Four of the water molecules bridge to two sodium ions, each of which have three other water molecules coordinated along with an O atom from the [CoII(dipicCl)2]2- complex. In the crystal structure, the various units are linked by O-H···O hydrogen bonds, formin...