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Bis(5-hy-droxy-isophthalato-κO (1))bis-[4-(pyridine-3-carboxamido-κN (3))pyridinium]copper(II) tetra-hydrate.

ABSTRACT: In the title compound, [Cu(C11H10N3O)2(C8H4O5)2]·4H2O, the Cu(II) ion, located on a crystallographic inversion center, is coordinated in a square-planar environment by two trans-O atoms belonging to two monodentate 5-hy-droxy-isophthalate (hip) dianions and two trans nicotinamide pyridyl N-donor atoms from monodentate protonated pendant N-(pyridin-4-yl)nicotinamide (4-pnaH) ligands. The protonated 4-pyridyl-amine groups engage in N-H(+)⋯O(-) hydrogen-bond donation to unligated hip O atoms to construct supra-molecular chain motifs parallel to [100]. Water mol-ecules of crystallization, situated between the chains, engage in O-H⋯O hydrogen bonding to form supra-molecular layers and the overall three-dimensional network structure.

SUBMITTER: O'Donovan ME

PROVIDER: S-EPMC3884997 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description: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.

| S-EPMC3274919 | biostudies-literature

[μ-2-(4-Hy-droxy-phen-yl)acetato]-κO:O,O';κO,O':O'-bis-{aqua-(4,4'-bi-pyridine-κN)bis-[2-(4-hy-droxy-phen-yl)acetato-κO,O']holmium(III)} mono-hydrate.

Project description:In the title dinuclear complex, [Ho(2)(C(8)H(7)O(3))(6)(C(10)H(8)N(2))(2)(H(2)O)(2)]·H(2)O, each of the two independent Ho(III) ions is coordinated by eight O atoms from four 4-hy-droxy-phenyl-acetate (HPAA) ligands and a water mol-ecule, and one N atom from a 4,4'-bipyridine (bipy) ligand in a distorted tricapped trigonal-prismatic geometry. The HPAA ligands are coordinated in bis-chelate, bridging and bridging tridentate modes. In the crystal, O-H⋯O and O-H⋯N hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3051499 | 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-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[μ-2-(4-hy-droxy-phen-yl)acetato]-κO,O':O;κO:O,O'-bis-{aqua-(4,4'-bipyridine-κN)bis-[2-(4-hy-droxy-phen-yl)acetato-κO,O']thulium(III)} mono-hydrate.

Project description:In the title dinuclear complex, [Tm(2)(C(8)H(7)O(3))(6)(C(10)H(8)N(2))(2)(H(2)O)(2)]·H(2)O, the Tm(III) atoms are coordinated by eight O atoms from four 2-(4-hy-droxy-phen-yl)acetate (HPAA) ligands and a water mol-ecule, and one N atom from a 4,4'-bipyridine ligand in a distorted tricapped trigonal-prismatic geometry. While four of the HPAA ligands coordinate to just one Tm atom, the remaining two HPAA ligands bridge the two Tm atoms. In the crystal, O-H⋯O and O-H⋯N hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3009223 | biostudies-literature

Bis[μ-2-(4-hy-droxy-phen-yl)acetato]-κO,O':O;κO:O,O'-bis-{aqua-(4,4'-bi-pyridine-κN)[2-(4-hy-droxy-phen-yl)acetato-κO,O']erbium(III)} monohydrate.

Project description:The title dinuclear complex, [Er(2)(C(8)H(7)O(3))(6)(C(10)H(8)N(2))(2)(H(2)O)(2)]·H(2)O, contains two Er(III) atoms in the asymmetric unit, six 2-(4-hy-droxy-phen-yl)acetate (PAA) anions, two 4,4'-bipyridine (bipy) mol-ecules, two coordinated water mol-ecules and one solvent water mol-ecule. The central Er(III) atoms are nine-coordinated. The coordination environment includes six O atoms from three PAA anions, one bridging O atom from a PAA anion, one O atom from a water mol-ecule and an N atom from a bipy ligand in a distorted tricapped trigonal-prismatic geometry. The occurrence of numerous O-H⋯O and O-H⋯N hydrogen bonds involving coordinated and noncoordinated water as well as bipy groups builds up an intricate three-dimensional network.

| S-EPMC3011679 | biostudies-literature

Tetra-kis[μ-2-(4-hy-droxy-phenyl)-acetato]-κO,O':O;κO:O,O'-bis-{aqua-(4,4'-bi-pyridine-κN)bis-[2-(4-hy-droxy-phenyl)-acetato-κO,O]neodymium(III)} monohydrate.

Project description:The title complex, [Nd(2)(C(8)H(7)O(3))(6)(C(10)H(8)N(2))(2)(H(2)O)(2)]·H(2)O, contains two Nd atoms, six 4-hy-droxy-phenyl-acetate (hpaa) anions, two 4,4'-bipyridine mol-ecules (bipy) and two water mol-ecules; an additional water mol-ecule of solvation is also present in the crystal structure. Each of the Nd(III) ions is nine-coordinated by seven O atoms from four hpaa ligands, an N atom from a bipy ligand and an O atom from a water mol-ecule in a distorted tricapped trigonal-prismatic geometry. The hpaa ligands are coordinated to the Nd(III) ions in the bridging and bridging tridentate modes. Extensive O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonding stabilizes the crystal structure.

| S-EPMC3009128 | biostudies-literature

Bis(dimethyl-malonato-κO,O')bis-[4-(4-pyridylamino-κN)pyridinium]nickel(II) hexa-hydrate.

Project description:In the title compound, [Ni(C(5)H(6)O(4))(2)(C(10)H(10)N(3))(2)]·6H(2)O, divalent nickel ions situated on the crystallographic twofold axis are octa-hedrally coordinated by four O atoms from two dimethyl-malonate ligands in a 1,3-chelating mode and two N atoms from two protonated monodentate 4,4'-dipyridylamine mol-ecules. The mol-ecules link into chains via N-H⋯O hydrogen bonding mediated by protonated pyridyl groups. The chains form layer patterns via π-π stacking [centroid-centroid distance = 3.777 (2) Å] . Water mol-ecule hexa-mers are generated from the unligated water mol-ecules (three per asymmetric unit) by inversion centers at Wyckoff position d. These clusters are situated between the pseudolayers, providing hydrogen-bonding pathways that build up the three-dimensional structure.

| S-EPMC2960085 | biostudies-literature

Poly[[diaqua-bis-(2,2'-bipyridine)-bis-(?(3)-5-hy-droxy-isophthalato)(?(2)-5-hy-droxy-isophthalato)digadolinium(III)] trihydrate].

Project description:The asymmetric unit of the title coordination polymer, {[Gd(2)(C(8)H(4)O(5))(3)(C(10)H(8)N(2))(2)(H(2)O)(2)]·3H(2)O}(n), contains two Gd(III) cations, one of which is surrounded by three 5-hy-droxy-isophthalate anions, one 2,2'-bipyridine ligand and two water mol-ecules in a distorted N(2)O(7) tricapped trigonal-prismatic coordination geometry. The other Gd cation is coordinated by four 5-hy-droxy-isophthalate anions and one 2,2'-bipyridine ligand in a distorted N(2)O(7) tricapped trigonal-prismatic coordination geometry. The 5-hy-droxy-isophthalate anions bridge the Gd cations, forming a layer structure. The layers are further connected by extensive O-H?O hydrogen bonding, assembling a three-dimensional supra-molecular network.

| S-EPMC3201312 | biostudies-literature

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