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Bis(μ-3-hy-droxy-benzoato)-κO,O:O;κO:O,O-bis-[(3-hy-droxy-benzoato-κO,O')(iso-nicotinamide-κN)cadmium] tetra-hydrate.

ABSTRACT: In the title centrosymmetric binuclear Cd(II) compound, [Cd(2)(C(7)H(5)O(3))(4)(C(6)H(6)N(2)O)(2)]·4H(2)O, the six-coordinated Cd(II) atom is chelated by the carboxyl-ate groups of the two 3-hy-droxy-benzoate (HB) anions; the two monomeric units are bridged through the two O atoms of the two carboxyl-ate groups. In the crystal, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the pyridine rings and between the benzene rings [centroid-centroid distances = 3.770 (1), 3.769 (1) and 3.632 (1) Å] may further stabilize the structure.

SUBMITTER: Zaman IG

PROVIDER: S-EPMC3274919 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Diaqua-bis-(2-hy-droxy-benzoato-κO (1))bis-(nicotinamide-κN (1))cadmium-diaqua-bis-(2-hy-droxy-benzoato-κ(2) O (1),O (1'))(nico-tin-amide-κN)cadmium-water (1/2/4).

Project description:The crystal structure of the title compound, [Cd(C7H5O3)2(C6H6NO)2(H2O)2]·2[Cd(C7H5O3)2(C6H6NO)(H2O)2]·4H2O, consists of two kinds of Cd(II) complexes (A and B) and lattice water mol-ecules. In complex A, [Cd(C7H5O3)2(C6H6NO)2(H2O)2], the Cd(II) cation is located on an inversion center and is coordinated by two salicylate anions, two nicotinamide (NA) ligands and two water mol-ecules in a slightly distorted octa-hedral geometry. In complex B, [Cd(C7H5O3)2(C6H6NO)(H2O)2], the Cd(II) cation is coordinated by two salicylate anions, one nicotinamide (NA) ligand and two water mol-ecules in an irregular seven-coordinate geometry. There are extensive intra-molecular O-H⋯O and weak C-H⋯O hydrogen bonds as well as extensive inter-molecular O-H⋯O and N-H⋯O hydrogen bonding in the crystal structure. π-π stacking between the pyridine and benzene rings, between the benzene rings, between the benzene and pyridine rings and between the pyridine rings [centroid-centroid distances = 3.5989 (10), 3.6005 (10), 3.5800 (9) and 3.5205 (10) Å, respectively] further stabilize the crystal structure. A weak N-H⋯π inter-action also occurs. One of the lattice water mol-ecules is disordered over two positions with an occupancy ratio of 0.70:0.30.

| S-EPMC3629475 | 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

Bis(4-hy-droxy-benzoato-κO,O')bis-(pyridine-κN)copper(II).

Project description:In the title compound, [Cu(C(7)H(5)O(3))(2)(C(5)H(5)N)(2)], the Cu atom is located on an inversion center and is coordinated by the N atoms of the two pyridine ligands, trans to each other, and to the carboxyl-ate O atoms of two bidentate 4-hy-droxy-benzoate ligands [Cu-O = 1.9706 (10) and 2.5204 (11) Å]. Hydrogen bonding between hy-droxy H and carboxyl-ate O atoms results in a layer structure parallel to the ab plane.

| S-EPMC3151994 | biostudies-literature

Bis[2-(4-hy-droxy-phen-yl)acetato-κO]bis-(1,10-phenanthroline-κN,N')cadmium penta-hydrate.

Project description:In the title compound, [Cd(C(8)H(7)O(3))(2)(C(12)H(8)N(2))(2)]·5H(2)O, the Cd(II) ion is six-coordinated by two carboxylate O atoms of monodentate 2-(4-hy-droxy-phen-yl)acetate ligands and by four N atoms from two chelating 1,10-phenantroline ligands in a distorted trigonal-prismatic geometry. O-H⋯O hydrogen bonds between water mol-ecules and the complex mol-ecules result in the formation of a three-dimensional network. Four water mol-ecules act as single acceptors and double donors while the fifth water mol-ecule is involved as a single acceptor and single donor in an O-H⋯O inter-action and as a donor in an O-H⋯π inter-action.

| S-EPMC3051641 | biostudies-literature

Bis(μ-2,4-dihy-droxy-benzoato-κO:O')bis-[aqua-(2,4-dihy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')cadmium(II)].

Project description:In the title centrosymmetric dimeric Cd(II) complex, [Cd(2)(C(7)H(5)O(4))(4)(C(12)H(8)N(2))(2)(H(2)O)(2)], the Cd(II) cation is coord-inated by a bidentate phenanthroline (phen) ligand, three dihy-droxy-benzoate (dhba) anions and one water mol-ecule in a distorted CdN(2)O(4) octa-hedral geometry. Among the dhba anions, two anions bridge two Cd(II) cations to form the dimeric complex with significant different Cd-O bond distances of 2.2215 (19) and 2.406 (2) Å. The centroid-centroid distance of 3.4615 (19) Å between two nearly parallel benzene rings of the dhba and phen ligands coordinating to the same Cd(II) cation indicates the existence of intra-molecular π-π stacking in the complex. Extensive O-H⋯O hydrogen bonding and inter-molecular weak C-H⋯O hydrogen bonding help to stabilize the crystal structure. One hy-droxy group of the monodentate dhba ligand is disordered over two sites with a site-occupancy ratio of 0.9:0.1.

| S-EPMC3006915 | biostudies-literature

Bis[μ-4-(dimethyl-amino)-benzoato]-κO,O':O;κO:O,O'-bis-{aqua-[4-(dimethyl-amino)-benzoato-κO,O'](nicotinamide-κN)cadmium(II)}.

Project description:In the centrosymmetric dimeric Cd(II) title compound, [Cd(2)(C(9)H(10)NO(2))(4)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], each seven-coordin-ated Cd(II) atom is chelated by the carboxyl-ate groups of the two 4-(dimethyl-amino)-benzoate (DMAB) anions; the two monomeric units are bridged through the two O atoms of the two carboxyl groups. 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. π-π contacts between the pyridine rings [centroid-centroid distance = 3.974 (1) Å] may further stabilize the structure. Weak C-H⋯π inter-actions are also observed.

| S-EPMC3007006 | biostudies-literature

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

Diaqua-bis(2-chloro-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

Project description:The title Ni(II) complex, [Ni(C(7)H(4)ClO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom located on an inversion centre. The mol-ecule contains two 2-chloro-benzoate (CB) and two nicotinamide (NA) ligands and two 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 group and the adjacent benzene ring is 29.48 (16)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.16 (5)°. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into infinite chains. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.952 (1) Å] may further stabilize the crystal structure. There is also a C-H⋯π inter-action.

| S-EPMC2968958 | 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

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