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Bis(isonicotinamide-κN)bis-[4-(methyl-amino)benzoato]zinc(II) monohydrate.

ABSTRACT: In the title Zn(II) complex, [Zn(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)]·H(2)O, the Zn atom is coordinated by two 4-methyl-amino-benzoate (MAB) and two isonicotinamide (INA) ligands in a distorted trigonal-bipyramidal geometry; one of the MAB ions acts as a bidentate ligand while the other MAB and the two INA are monodentate ligands. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 8.52 (22) and 5.10 (14)°. In the crystal, inter-molecular O-H⋯O and N-H⋯O hydrogen bonding links the mol-ecules into a supra-molecular structure. Weak inter-molecular C-H⋯O inter-actions are also present.

SUBMITTER: Hokelek T

PROVIDER: S-EPMC2970957 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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[4-(dimethyl-amino)benzoato](isonicotinamide)zinc(II).

Project description:The mol-ecule of the title Zn(II) complex, [Zn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(H(2)O)(2)], contains two 4-(dimethyl-amino)benzoate (DMAB) ligands, one isonicotinamide (INA) ligand and two water mol-ecules; one of the DMAB ions acts as a bidentate ligand while the other and INA are monodentate ligands. The four O atoms in the equatorial plane around the Zn atom form a distorted square-planar arrangement, while the distorted octa-hedral coordination is completed by the N atom of the INA ligand and the O atom of the water mol-ecule in the axial positions. Intra-molecular C-H?O hydrogen bonding results in the formation of a six-membered ring adopting an envelope conformation. The dihedral angle between the carboxyl groups and the adjacent benzene rings are 4.87?(16) and 2.2?(2)°, while the two benzene rings are oriented at a dihedral angle of 65.13?(8)°. The dihedral angle between the benzene and pyridine rings are 11.47?(7) and 74.83?(8)°, respectively. In the crystal structure, inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds link the mol-ecules into a supra-molecular structure. ?-? contacts between the pyridine and benzene rings and between the benzene rings [centroid-centroid distances = 3.695?(1) and 3.841?(1)?Å, respectively] further stabilize the structure. Weak inter-molecular C-H?? inter-actions are also present.

| S-EPMC2969605 | biostudies-literature

Tetra-kis-(μ-benzoato-κO:O')bis{[4-(di-methyl-amino)-pyridine-κN]zinc(II)}.

Project description:In the centrosymmetric binuclear title complex, [Zn(2)(C(7)H(5)O(2))(4)(C(7)H(10)N(2))(2)], the Zn atoms [Zn⋯Zn = 3.0037 (6) Å] are bridged by four benzoate ligands. Each of the Zn atoms assumes an approximately square-pyramidal environment, with four O atoms in a plane and the pyridine N atom at the apical site.

| S-EPMC3051476 | biostudies-literature

Diaqua-bis(4-methyl-amino-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

Project description:The title Ni(II) complex, [Ni(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom on an inversion center. The mol-ecule contains two 4-methyl-amino-benzoate (MAB) 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 Ni 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-ate group and the adjacent benzene ring is 2.09 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 66.15 (4)°. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2977638 | biostudies-literature

Bis(isonicotinamide-?N)bis-(4-methyl-benzoato-?O)copper(II) dihydrate.

Project description:In the centrosymmetric title compound, [Cu(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)]·2H(2)O, the Cu(II) ion is located on a crystallographic inversion center. The asymmetric unit is completed by one 4-methyl-benzoate anion, one isonicotinamide (INA) ligand and one uncoordinated water mol-ecule; all the ligands are monodentate. The two O and the two N atoms around the Cu(II) ion form a slightly distorted square-planar arrangement. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 13.86?(9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 86.08?(5)°. The uncoordinated water mol-ecules are linked to the INA ligands by O-H?O hydrogen bonds. In the crystal structure, inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3007312 | biostudies-literature

Aqua-bis(4-formyl-benzoato-?O,O)bis-(isonicotinamide-?N)cadmium(II) monohydrate.

Project description:The asymmetric unit of the title Cd(II) complex, [Cd(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, contains two 4-formyl-benzoate (FB), two isonicotinamide (INA) ligands, one coordinated and one uncoordinated water mol-ecule; the FB ions act as bidentate ligands. The coordination number of the Cd(II) atom is seven within a CdO(5)N(2) donor set. Intra-molecular O-H?O hydrogen bonds link the uncoordinated water mol-ecules to the carboxyl groups. The dihedral angle between the carboxyl-ate groups and the adjacent benzene rings are 17.53?(13) and 16.55?(14)°. In the crystal structure, inter-molecular O-H?O, N-H?O, N-H?N and C-H?O hydrogen bonds link the mol-ecules into a supra-molecular structure. The amide group of one of the INA ligands is disordered over two orientations, with an occupancy ratio of 0.759?(3):0.241?(3).

| S-EPMC2971022 | 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

Aqua-bis(isonicotinamide-?N)bis-(4-methyl-benzoato)-?O;?O,O'-cadmium(II) monohydrate.

Project description:In the crystal structure of the title compound, [Cd(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·H(2)O, the Cd(II) cation is coordinated by two 4-methyl-benzoate (PMB) anions, two isonicotinamide (INA) ligands and one water mol-ecule in a distorted octa-hedral CdN(2)O(4) geometry. One of PMB ions acts as a bidentate ligand while the other and the two INA are monodentate ligands. An O-H?O hydrogen bond links the uncoordinated water mol-ecule to the carboxyl groups of the complex. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 10.28?(11) and 21.24?(9)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 6.90?(4) and 88.64?(4)°, respectively. In the crystal structure, O-H?O and N-H?O hydrogen bonds link the mol-ecules into a supra-molecular structure. A ?-? contact between the benzene rings [centroid-centroid distance = 3.911?(1)?Å] may further stabilize the crystal structure. Weak C-H?? inter-actions involving the pyridine rings also occur in the crystal structure.

| S-EPMC2984084 | biostudies-other

Diaqua-bis[4-(dimethyl-amino)benzoato-?O](isonicotinamide-?N)manganese(II).

Project description:The title Mn(II) complex, [Mn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(H(2)O)(2)], contains two 4-(dimethylamino)benzoate (DMAB) anions, one isonicotinamide (INA) ligand and two coordinated water mol-ecules. 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 Mn atom form a highly distorted square-planar arrangement, while the distorted octa-hedral coordination geometry is completed by the N atom of the INA ligand and the O atom of the second water mol-ecule in the axial positions. In the crystal structure, strong inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (010). Two weak C-H?? inter-actions are also found.

| S-EPMC2970058 | biostudies-literature

Aquabis(benzoato-κO)bis-(1H-imidazole-κN)copper(II) monohydrate.

Project description:In the title compound, [Cu(C(7)H(5)O(2))(2)(C(3)H(4)N(2))(2)(H(2)O)]·H(2)O, the Cu(II) atom is in a distorted square-pyramidal environment. The mol-ecules are assembled into double chains extending along [010] by N-H⋯O hydrogen bonds. These double chains are linked by O-H⋯O hydrogen bonds, forming layers parallel to (02); the layers are linked into a three-dimensional network by van der Waals inter-actions.

| S-EPMC2968978 | biostudies-literature

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