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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 | 2011 Feb

REPOSITORIES: biostudies-literature

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

Necefoğlu Hacali H Ozbek Füreya Elif FE Aktaş Vedat V Tercan Barış B Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20110226 Pt 3

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, for ...[more]

PMID: 21522302

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

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

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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.

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Bis(2-fluoro-benzoato-κO)bis-(pyridin-2-amine-κN)zinc(II).

Project description:In the title compound, [Zn(C(7)H(4)FO(2))(2)(C(5)H(6)N(2))(2)] or [Zn(fa)(2)(2-pa)(2)] (Hfa is 2-fluoro-benzoic acid and 2-pa = pyridin-2-amine), the asymmetric unit contains one Zn(II) cation, two fa ligands and two 2-pa ligands, wherein the Zn(II) displays a distorted tetra-hedral geometry, being surrounded by two monodentate fa ligands with Zn-O distances of 1.962 (2) and 1.976 (3) Å, and by two 2-pa ligands with distances involving pyridyl N atoms of 2.069 (2) and 2.056 (2) Å. The F atoms of the fa ligands are equally disordered over two sites, viz. the 2- and 6-positions of fa. The mononuclear complex mol-ecules are joined by N-H⋯O and N-H⋯F hydrogen bonds into a two-dimensional layer, which is further constructed into a three-dimensional supra-molecular network by weak C-H⋯F inter-actions and effective π-π stacking [centroid-centroid separation of 3.74 (3) Å] between the inter-layer aromatic rings and adjacent heterocycles.

| S-EPMC2977469 | biostudies-literature

Bis(3-hydroxy-pyridine-κN)bis-(3-nitro-benzoato-κO)zinc(II).

Project description:The title complex, [Zn(C(7)H(4)NO(4))(2)(C(5)H(5)NO)(2)], has site symmetry 2. The Zn(II) ion is located on a crystallographic twofold rotation axis and assumes a distorted tetra-hedral ZnN(2)O(2) coordination geometry. Mol-ecules are linked by an inter-molecular O-H⋯O hydrogen bond and π-π stacking inter-actions between pyridine rings [centroid-centroid speparation 3.594 (1) Å].

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Bis(μ-4-methyl-benzoato-κO:O')bis-[aqua-(4-methyl-benzoato-κO,O')zinc(II)]-bis-(μ-4-methyl-benzoato-κO:O')bis-[(4-methyl-benzoato-κO)(nicotinamide-κN)zinc(II)]-water (1/1/2).

Project description:The crystal structure of the title compound, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)]·[Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)]·2H(2)O, consists of two kinds of dinuclear Zn(II) complexes (complex A and complex B) and uncoordinated water mol-ecules. In complex A, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)], each Zn cation is chelated by a 4-methyl-benzoate (PMB) anion and coordinated by a water mol-ecule, and is further bridged by two PMB anions in a trigonal-bipyramidal geometry. In complex B, [Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)], each Zn(II) cation is coordinated by a monodentate PMB anion and one nicotinamide (NA) ligand, and is further bridged by two PMB anions in a tetra-hedral geometry. Weak intra-mol-ecular π-π stacking between adjacent benzene rings is observed in complex B, the centroid-centroid distance being 3.710 (2) Å. Extensive O-H⋯O and N-H⋯O hydrogen bonding and weak C-H⋯O hydrogen bonding is present in the crystal structure. The crystal studied was a racemic twin; the minor twin component refined to 38%.

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Diaqua-bis-[4-(dimethyl-amino)-benzoato-κO]bis-(nicotinamide-κN)zinc(II) dihydrate.

Project description:In the centrosymmetric title structure, [Zn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the Zn(II) cation, located on an inversion center, is coordinated by two 4-(methyl-amino)-benzoate anions, two nicotinamide ligands and two water mol-ecules in a slightly distorted octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 3.09 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.10 (4)°. The uncoordinated water mol-ecule is linked to nicotinamide ligands by O-H⋯O hydrogen bonds. In the crystal, inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. A weak N-H⋯π inter-action also occurs.

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

Project description:The title Cu(II) complex, [Cu(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) ligands, two monodentate diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Cu(II) ion form a slightly distorted square-planar arrangement, while the 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 4.6 (3) and 3.7 (2)°, while the pyridine rings and the benzene rings are oriented at dihedral angles of 6.82 (11) and 3.63 (14)°. 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 = 3.469 (2) Å] are also observed.

| S-EPMC3120545 | biostudies-literature

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