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Bis(4-ethyl-benzoato-κO)bis-(nicotin-amide-κN)zinc(II).

ABSTRACT: The title Zn(II) complex, [Zn(C(9)H(9)O(2))(2)(C(6)H(6)N(2)O)(2)], contains two 4-ethyl-benzoate and two nicotinamide monodentate ligands, leading to a distorted tetrahedral coordination of the Zn(II) ion. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 10.33 (13) and 2.38 (11)°, while opposite pyridine and benzene rings are oriented at dihedral angles of 68.46 (5) and 81.09 (6)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network. C-H⋯O inter-actions also occur as well as two weak C-H⋯π inter-actions involving the benzene rings.

SUBMITTER: Necefoglu H

PROVIDER: S-EPMC3051993 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(4-meth-oxy-benzoato)-κO,O';κO-bis-(nicotinamide-κN)zinc(II).

Project description:The asymmetric unit of the title complex, [Zn(C(8)H(7)O(3))(2)(C(6)H(6)N(2)O)(2)], contains three crystallographically independent mol-ecules with similar configurations. The Zn(II) cation is coordinated by two N atoms of two nicotinamide ligands and three O atoms from two 4-meth-oxy-benzoate anions in a distorted trigonal-bipyramidal geometry. In each independent mol-ecule, one Zn-O bond distance [2.5181 (12), 2.5931 (12) and 2.4085 (12) Å for the three mol-ecules] is significantly longer than the other two. In the crystal structure, extensive N-H⋯O and C-H⋯O hydrogen bonding links the mol-ecules into a three-dimensional network. π-π contacts between the pyridine rings and between the pyridine and benzene rings [centroid-centroid distances = 3.7655 (9) and 3.8453 (10) Å, respectively] further stabilize the crystal structure.

| S-EPMC3007960 | biostudies-literature

Bis[4-(methyl-amino)benzoato-κO]bis-(nicotinamide-κN)zinc(II).

Project description:The title zinc complex, [Zn(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)], is composed of two monodentate 4-(methyl-amino)benzoate and two monodentate nicotinamide ligands. The coordination around the Zn atom is distorted tetra-hedral. The dihedral angles between the two benzene rings and the two pyridine rings are 78.30 (6) and 68.86 (5)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into an infinite three-dimensional network.

| S-EPMC2968013 | biostudies-literature

Diaqua-bis(2-bromo-benzoato-κO)bis-(nicotinamide-κN)zinc(II).

Project description:The title Zn(II) complex, [Zn(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Zn atom on an inversion center. The mol-ecule contains two 2-bromo-benzoate (BB) and two nicotinamide (NA) ligands and two coordinated water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Zn atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 31.14 (12)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.54 (5)°. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into infinite chains. A weak C-H⋯π inter-action is also present.

| S-EPMC2977639 | biostudies-literature

Diaqua-bis-(N,N-diethyl-nicotinamide-κN)bis-(4-ethyl-benzoato-κO)cobalt(II).

Project description:The title Co(II) complex, [Co(C(9)H(9)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two 4-ethyl-benzoate (PEB), two monodentate diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Co(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. Intra-molecular O-H⋯O hydrogen bonds link the water mol-ecules to the carboxyl-ate groups. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 4.52 (18) and 4.56 (18)°, while the pyridine rings and the benzene rings are oriented at dihedral angles of 7.76 (10) and 5.67 (13)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into chains propagating along [010]. C-H⋯O inter-actions and a π-π contact between the pyridine rings [centroid-centroid distance = 3.476 (2) Å] are also observed.

| S-EPMC3089307 | biostudies-literature

trans,trans,trans-Diaqua-bis(nicotin-amide-κN)bis-(2-nitro-benzoato-κO)copper(II).

Project description:The water-coordinated metal atom in the title compound, [Cu(C(7)H(4)NO(4))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], lies on a center of inversion in an all-trans octa-hedral environment with slight distortions. The mol-ecule inter-acts with adjacent mol-ecules through O-H⋯O and N-H⋯O hydrogen bonds, forming a layered network parallel to (010).

| S-EPMC2969059 | biostudies-literature

(2,2'-Bipyridine-κN,N')bis-(4-methyl-benzoato-κO,O')zinc(II).

Project description:In the title compound, [Zn(C(8)H(7)O(2))(2)(C(10)H(8)N(2))], the Zn(II) atom is coordinated by four O atoms from two chelating 4-methyl-benzoate ligands and two N atoms from a 2,2'-bipyridine ligand, displaying a disordered octahedral geometry. C-H⋯O hydrogen bonds connect the complex mol-ecules into a three-dimensional supra-molecular structure.

| S-EPMC2961165 | biostudies-literature

Diaqua-bis(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)zinc(II).

Project description:In the centrosymmetric title complex, [Zn(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) atom is located on an inversion center. The asymmetric unit contains one 2-bromo-benzoate (BB), one diethyl-nicotinamide (DENA) ligand and one coordinating water molecule. The four O atoms in the equatorial plane around the Zn atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 85.51 (12)°, while the pyridine and benzene rings are oriented at a dihedral angle of 44.07 (6)°. In the crystal structure, O-H⋯O hydrogen bonds link the mol-ecules into infinite chains.

| S-EPMC2977549 | biostudies-literature

Aqua-bis-(3-chloro-benzoato-κO)bis-(N,N-di-ethyl-nicotinamide-κN)copper(II).

Project description:The title compound, [Cu(C7H4ClO2)2(C10H14N2O)2(H2O)], has twofold symmetry with the Cu(II) cation and the O atom of the coordinating water mol-ecule located on the axis. The Cu(II) cation is coordinated by two carboxyl-ate O atoms of chloro-benzoate (CB) anions, two N atoms of N,N-di-ethyl-nicotinamide (DENA) ligands and one water mol-ecule in a distorted N2O3 square-pyramidal geometry. The benzene and pyridine rings are oriented at a dihedral angle of 82.51 (6)°. In the anionic ligand, the carboxyl-ate group is twisted away from the attached benzene ring by 12.85 (11)°. In the crystal, O-H⋯O hydrogen bonds between the coordinating water mol-ecule and the carboxyl group link the complex mol-ecules into supra-molecular chains running along the c-axis direction.

| S-EPMC3793693 | biostudies-literature

(Benzoato-κO)chlorido[(-)-sparteine-κN,N']zinc(II).

Project description:The title complex, [Zn(C(7)H(5)O(2))Cl(C(15)H(26)N(2))], used for the magnetic dilution of the analogous Cu(II) complex, was synthesized through a direct synthesis route. The coordination geometry around Zn(II) is best described as distorted tetra-hedral, the largest deviation arising from the (-)-sparteine ligand, as is invariably found in complexes containing this rather rigid mol-ecule. The benzoate anion behaves as a monodentate ligand, with a non-coordinating Zn⋯O separation of 2.969 (5) Å. Mol-ecules are packed in the crystal without significant inter-molecular inter-actions. The shortest Zn⋯Zn separation [6.8186 (7) Å] is observed between mol-ecules related through the 2(1) screw axis. This is an important feature for the magnetic behaviour of the Cu(II) analogue, which is intended for modeling isolated metal centers in the active site of type 1 blue copper proteins.

| S-EPMC2969941 | biostudies-literature

Bis(μ-3-hydroxy-benzoato)-κO:O;κO:O-bis-[bis-(1H-benzimidazole-κN)(3-hydroxy-benzoato-κO)nickel(II)] bis-(1H-benzimidazole-κN)bis-(3-hy-droxy-benzoato-κO)nickel(II) hexa-hydrate.

Project description:The title compound, [Ni(2)(C(7)H(5)O(3))(4)(C(7)H(6)N(2))(4)][Ni(C(7)H(5)O(3))(2)(C(7)H(6)N(2))(2)]·6H(2)O, is a mononuclear/dinuclear nickel(II) cocrystal, the two mol-ecular species inter-acting through hydrogen bonds that involve the uncoordinated water mol-ecules. In the mononuclear species, the Ni(II) ion, located on an inversion center, is coordinated by two 1H-benzimidazole (bzim) ligands and two 3-hydroxy-benzoate (hba) anions in a square-planar geometry. In the centrosymmetric dinuclear species, the Ni(II) ion is coordinated by two bzim ligands and three hba anions in a square-pyramidal geometry; of the two independent hba anions, one bridges two Ni(II) ions with both carboxylate and hydroxyl groups whereas the other coordin-ates in a unidentate manner to the Ni(II) ion. The apical Ni-O(hydrox-yl) bond is 0.39 Å longer than the basal Ni-O(carbox-yl) bonds. The face-to-face separation of 3.326 (9) Å indicates the existence of π-π stacking between parallel bzim ligands of adjacent dinuclear entities. Extensive N-H⋯O and O-H⋯O hydrogen bonds help to stabilize the crystal structure.

| S-EPMC2960256 | biostudies-literature

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