Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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 | 2013 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

O'Donovan Megan E ME Laduca Robert L RL

Acta crystallographica. Section E, Structure reports online 20131116 Pt 12

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 con ...[more]

PMID: 24454172

Similar Datasets

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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data