Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

9-Amino-acridinium bis-(pyridine-2,6-dicarboxyl-ato-κ(3)O(2),N,O(6))ferrate(III) tetra-hydrate.

ABSTRACT: The asymmetric unit of the title compound, (C(13)H(11)N(2))[Fe(C(7)H(3)NO(4))(2)]·4H(2)O, contains a 9-amino-acridinium cation, one anionic complex and four uncoordinated water mol-ecules. In the anionic complex, the Fe(III) ion is six-coordinated by two almost perpendicular [dihedral angle = 88.78 (7)°] pyridine-2,6-dicarboxyl-ate ligands in a distorted octa-hedral geometry. In the crystal, anions are connected into chains along [10-1] by weak C-H⋯O inter-actions, which create ten-membered hydrogen-bonded R(2) (2)(10) rings. These chains are linked by three-membered water clusters. The final three-dimensional network is constructed by numerous inter-molecular O-H⋯O and N-H⋯O inter-actions.

SUBMITTER: Mirzaei M

PROVIDER: S-EPMC3379098 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

9-Amino-acridinium bis-(pyridine-2,6-dicarboxyl-ato-κ(3)O(2),N,O(6))ferrate(III) tetra-hydrate.

Mirzaei Masoud M Eshtiagh-Hosseini Hossein H Eydizadeh Ehsan E Yousefi Zakieh Z Molčanov Krešimir K

Acta crystallographica. Section E, Structure reports online 20120512 Pt 6

The asymmetric unit of the title compound, (C(13)H(11)N(2))[Fe(C(7)H(3)NO(4))(2)]·4H(2)O, contains a 9-amino-acridinium cation, one anionic complex and four uncoordinated water mol-ecules. In the anionic complex, the Fe(III) ion is six-coordinated by two almost perpendicular [dihedral angle = 88.78 (7)°] pyridine-2,6-dicarboxyl-ate ligands in a distorted octa-hedral geometry. In the crystal, anions are connected into chains along [10-1] by weak C-H⋯O inter-actions, which create ten-membered hydr ...[more]

PMID: 22719319

Similar Datasets

4-(4-Pyrid-yl)pyridinium bis-(pyridine-2,6-dicarboxyl-ato)ferrate(III) tetra-hydrate.

Project description:In the title compound, (C(10)H(9)N(2))[Fe(C(7)H(3)NO(4))(2)]·4H(2)O or (bpyH)[Fe(pydc)(2)]·4H(2)O, the asymmetric unit contains an [Fe(pydc)(2)](-) (pydcH(2)= pyridine-2,6-dicarboxylic acid) anion, a protonated 4,4'-bipyridine as a counter-ion, (bpyH)(+), and four uncoordinated water mol-ecules. The anion is a six-coordinate complex with a distorted octa-hedral geometry around the Fe(III )atom. A wide range of non-covalent inter-actions, i.e. O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds, ion pairing, C-O⋯π [3.431 (2) Å] and C-H⋯π stacking inter-actions result in the formation of a three-dimensional network structure.

| S-EPMC2983936 | biostudies-literature

Hexaaqua-nickel(II) tetra-aqua-bis-(μ-pyridine-2,6-dicarboxyl-ato)bis-(pyridine-2,6-dicarboxyl-ato)trinickelate(II) octa-hydrate.

Project description:The title compound, [Ni(H(2)O)(6)][Ni(3)(C(7)H(3)NO(4))(4)(H(2)O)(4)]·8H(2)O, was obtained by the reaction of nickel(II) nitrate hexa-hydrate with pyridine-2,6-dicarb-oxy-lic acid (pydcH(2)) and 1,10-phenanothroline (phen) in an aqueous solution. The latter ligand is not involved in formation of the title complex. There are three different Ni(II) atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H(2)O)(6)](2+) cation and the trinuclear {[Ni(pydc)(2)](2)-μ-Ni(H(2)O)(4)}(2-) anion are centrosymmetric. All Ni(II) atoms exhibit an octa-hedral coordination geometry. Various inter-actions, including numerous O-H⋯O and C-H⋯O hydrogen bonds and C-O⋯π stacking of the pyridine and carboxyl-ate groups [3.570 (1), 3.758 (1) and 3.609 (1) Å], are observed in the crystal structure.

| S-EPMC3007465 | biostudies-literature

[(Pyridine-2,6-dicarboxyl-ato)copper(II)]-μ-(pyridine-2,6-dicarboxyl-ato)-[bis-(ethyl-enediamine)-copper(II)]-μ-(pyridine-2,6-dicarboxyl-ato)-[(pyridine-2,6-dicarboxyl-ato)copper(II)] ethyl-enediamine monosolvate tetra-hydrate.

Project description:The title compound, [Cu(3)(C(7)H(3)NO(4))(4)(C(2)H(8)N(2))(2)]·C(2)H(8)N(2)·4H(2)O, was obtained by the reaction of copper(II) acetate dihydrate with pyridine-2,6-dicarb-oxy-lic acid (H(2)dipic) and ethyl-enediamine (en) in an aqueous solution. All of the Cu(II) atoms in the trinuclear centrosymmetric title complex are six-coordinated in a distorted octa-hedral geometry with N(2)O(4) and N(4)O(2) environments for the outer and central Cu(II) atoms, respectively. Various inter-actions, including numerous O-H⋯O and C-H⋯O hydrogen bonds and C-O⋯π stacking of the pyridine and carboxyl-ate groups [O⋯centroid distances = 3.669 (2) and 3.668 (2) Å] are observed in the crystal structure.

| S-EPMC3379149 | biostudies-literature

Acridinium (6-carboxy-pyridine-2-carboxyl-ato)(pyridine-2,6-dicarboxyl-ato)zincate(II) penta-hydrate.

Project description:The reaction of Zn(NO(3))(2) with pyridine-2,6-dicarboxylic acid (pydcH(2)) and acridine (acr) in aqueous solution leads to the formation of the title compound, (C(13)H(10)N)[Zn(C(7)H(3)NO(4))(C(7)H(4)NO(4))]·5H(2)O or (acrH)[Zn(pydcH)(pydc)]·5H(2)O. In the title compound, the Zn(II) atom is coordinated by four O atoms and two N atoms from the tridentate chelating rings of (pydc)(2-) and (pydcH)(-) anions. The geometry of the resulting ZnN(2)O(4) coordination can be described as distorted octa-hedral. To balance the charges, one protonated acridine (acrH)(+) cation is present. In the crystal structure, extensive O-H⋯O and N-H⋯O hydrogen bonds involving acrH(+), the complex anion and uncoordinated water mol-ecules form a three-dimensional network.

| S-EPMC2968778 | biostudies-literature

2-Amino-pyridinium bis-(pyridine-2,6-dicarboxyl-ato)ferrate(III).

Project description:In the title compound, (C(5)H(7)N(2))[Fe(C(7)H(3)NO(4))(2)] or [2-apyH][Fe(pydc)(2)], the asymmetric unit contains an [Fe(pydc)(2)](-) (pydc is pyridine-2,6-dicarboxyl-ate) anion and a protonated 2-amino-pyridine cation ([2-apyH](+)). The complex anion contains an Fe(III) atom within a distorted octahedral FeN(2)O(4) coordination geometry. N-H⋯O and C-H⋯O hydrogen bonding, offset π-π stacking [centroid-centroid distance = 3.805 (13) Å] and C=O⋯π inter-actions [3.494 (14) Å] generate a three-dimensional network structure.

| S-EPMC3274902 | biostudies-literature

Tetra-kis(1,10-phenanthroline)bis-(μ-pyridine-2,6-dicarboxyl-ato)(pyridine-2,6-di-carboxyl-ato)dicopper(II)terbium(III) nitrate tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Cu(2)Tb(C(7)H(3)NO(4))(3)(C(12)H(8)N(2))(4)]NO(3)·4H(2)O, consists of one-half of the C(2)-symmetric trinuclear coordination cation, one-half of the C(2)-symmetric nitrate anion and two water mol-ecules. In the coordination cation, the Cu(II) atom is coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from a bridging-chelating carboxyl-ate group of the pyridine-2,6-dicarboxyl-ate anion, completing a distorted N(4)O(2) octa-hedral coordination environment. The Tb(III) atom, located on a twofold rotation axis, is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate anions forming an N(3)O(6) donor set. The intra-molecular Cu⋯Tb distance of 5.0592 (11) Å indicates weak inter-actions between the Cu(II) and Tb(III) atoms. The coordination cations, nitrate anions and water mol-ecules are connected via O-H⋯O hydrogen bonds into layers parallel to the (001) plane. Moreover, there are extensive π-π stacking inter-actions [centroid-centroid distances = 4.332 (7) and 3.878 (5) Å] between the phenanthroline ligands and between phenanthroline and pyridine-2,6-dicarboxyl-ate ligands.

| S-EPMC3414140 | biostudies-literature

Tetra-μ-aqua-octaaqua-bis(μ-4-chloro-pyridine-2,6-dicarboxyl-ato)bis-(4-chloro-pyridine-2,6-dicarboxyl-ato)tri-cobalt(II)disodium(I) bis-[triaqua-bis(4-chloro-pyridine-2,6-dicarboxyl-ato)cobalt(II)] hexa-hydrate.

Project description:The title compound, [Co(3)Na(2)(C(7)H(2)ClNO(4))(4)(H(2)O)(12)][Co(C(7)H(2)ClNO(4))(H(2)O)(3)](2)·6H(2)O, consists of a centrosymmetric dimer of [Co(II)(dipicCl)(2)](2-) complex dianions [dipicCl is 4-chloro-pyridine-2,6-dicarboxyl-ate] bridged by an [Na(2)Co(II)(H(2)O)(12)](4+) tetra-cationic cluster, two independent [Co(dipicCl)(H(2)O)(3)] complexes, and six water mol-ecules of crystallization. The metals are all six-coordinate with distorted octahedral geometries. The [Co(II)(dipicCl)(H(2)O)(3)] complexes are neutral, with one tridentate ligand and three water molecules. The [Co(II)(dipicCl)(2)](2-) complexes each have two tridentate ligands. The [Na(2)Co(II)(H(2)O)(12)](4+) cluster has a central Co(II) ion which is coordinated to six water molecules and lies on a crystallographic inversion center. Four of the water molecules bridge to two sodium ions, each of which have three other water molecules coordinated along with an O atom from the [Co(II)(dipicCl)(2)](2-) complex. In the crystal structure, the various units are linked by O-H⋯O hydrogen bonds, forming a three-dimensional network. Two water molecules are disordered equally over two positions.

| S-EPMC2915174 | biostudies-literature

Bis(guanidinium) tris-(pyridine-2,6-dicarboxyl-ato-κ(3)O(2),N,O(6))zirconate(II) tetra-hydrate.

Project description:In the title complex, (CH(6)N(3))(2)[Zr(C(7)H(3)NO(4))(3)]·4H(2)O, the Zr(IV) ion lies on a twofold rotation axes and is coordinated by six O and three N atoms of three tridentate pyridine-2,6-dicarboxyl-ate ligands, forming a slightly distorted tricapped trigonal-prismatic geometry. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link the components into a three-dimensional network.

| S-EPMC3343856 | biostudies-literature

Poly[[dodeca-aqua-bis-(μ(3)-pyridine-2,6-dicarboxyl-ato)tetra-kis-(μ(2)-pyridine-2,6-dicarboxyl-ato)tri-calciumdieuropium(III)] 10.5-hydrate].

Project description:In the title compound, {[Ca(3)Eu(2)(C(7)H(3)NO(4))(6)(H(2)O)(12)]·10.5H(2)O}(n), the Eu(III) ion is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate (PDA) ligands, forming a [Eu(PDA)(3)](3-) building block. The Ca(2+) ions adopt two types of coordination geometries. One Ca(2+) ion, lying on a twofold rotation axis, is eight-coordinated by four carboxyl-ate O atoms from four PDA ligands and four water mol-ecules, and the other two Ca(2+) ions, each lying on an inversion center, are six-coordinated by two carboxyl-ate O atoms from two PDA ligands and four water mol-ecules. The carboxyl-ate groups bridge the Eu(III) and Ca(2+) ions into a three-dimensional porous framework, with channels extending along [010] and [001] in which lattice water mol-ecules are located. Two of the lattice water mol-ecules are disordered over two sets of sites with equal occupancy and one water mol-ecule is 0.25-occupied. Numerous O-H⋯O hydrogen bonds involving the water mol-ecules and carboxyl-ate O atoms are present.

| S-EPMC3344405 | biostudies-literature

Bis(9-amino-acridinium) bis-(pyridine-2,6-dicarboxyl-ato)cuprate(II) trihydrate.

Project description:The asymmetric unit of the title compound, (C(13)H(11)N(2))(2)[Cu(C(7)H(3)NO(4))(2)]·3H(2)O, consists of one [Cu(pydc)(2)](2-) dianion (pydc is pyridine-2,6-dicarboxyl-ate), two 9-amino-acridinum monocations and three uncoordinated water mol-ecules. The Cu(II) atom is coordinated by two pydc dianions acting as tridentate ligands, and forming five-membered chelate rings with copper(II) as the central atom. The Cu(II) atom is surrounded by four O atoms in the equatorial plane and two pyridine N atoms in axial positions, resulting in a distorted octa-hedral coordination geometry. In the crystal, there are two types of O-H⋯O and N-H⋯O hydrogen-bonding synthons linking the anionic and cationic fragments and the water mol-ecules, namely R(4) (4)(16), and R(4) (2)(8). There are also weak C-H⋯O hydrogen bonds, π-π stacking inter-actions [the shortest centroid-centroid distance is 3.350 (2) Å], and a C-O⋯π inter-action [O⋯centroid distance = 3.564 (2) Å], which connect the various components into a three-dimensional network.

| S-EPMC2983232 | 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