Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(9-amino-acridinium) bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)manganate(II) trihydrate.

ABSTRACT: The asymmetric unit of the title compound, (C(13)H(11)N(2))(2)[Mn(C(7)H(3)NO(4))(2)]·3H(2)O, consists of a discrete mononuclear [Mn(2,6-pydc)(2)](2-) anionic complex (2,6-pydc is pyridine-2,6-dicarboxyl-ate) associated with two 9-amino-acridinium counter-ions for neutralization of charge and three uncoordin-ated water mol-ecules. The Mn(II) atom is six-coordinated by (2,6-pydc)(2-) anions in a tridentate fashion and is at the centre of a distorted octa-hedron formed by the MnO(4)N(2) bonding set. In the crystal, various inter-molecular inter-actions between different moieties can be found, such as different kinds of hydrogen bonds, offset or slipped ?-? [centroid-centroid distances in the range 3.3704?(12) to 3.8674?(13)Å] and C=O?? [3.563?Å] inter-actions, which lead to the formation of a three-dimensional supra-molecular network.

SUBMITTER: Eshtiagh-Hosseini H

PROVIDER: S-EPMC3201554 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Bis(9-amino-acridinium) bis-(pyridine-2,6-dicarboxyl-ato-κO,N,O)manganate(II) trihydrate.

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

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

The asymmetric unit of the title compound, (C(13)H(11)N(2))(2)[Mn(C(7)H(3)NO(4))(2)]·3H(2)O, consists of a discrete mononuclear [Mn(2,6-pydc)(2)](2-) anionic complex (2,6-pydc is pyridine-2,6-dicarboxyl-ate) associated with two 9-amino-acridinium counter-ions for neutralization of charge and three uncoordin-ated water mol-ecules. The Mn(II) atom is six-coordinated by (2,6-pydc)(2-) anions in a tridentate fashion and is at the centre of a distorted octa-hedron formed by the MnO(4)N(2) bonding set ...[more]

PMID: 22058707

Similar Datasets

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, ?-? stacking inter-actions [the shortest centroid-centroid distance is 3.350?(2)?Å], and a C-O?? inter-action [O?centroid distance = 3.564?(2)?Å], which connect the various components into a three-dimensional network.

| S-EPMC2983232 | biostudies-literature

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

Project description:In the title compound, (C(13)H(11)N(2))(2)[Zn(C(7)H(3)NO(4))(2)]·3H(2)O, the Zn(II) ion is six-coordinated with the N(4)O(2) donor set being a distorted octa-hedron through two almost perpendicular (r.m.s. deviation of ligand atoms from the mean plane is 0.057?Å) tridentate pyridine-2,6-dicarboxyl-ate ligands [dihedral angle between the ligands = 86.06?(4)°]. The charge is compensated by two 9-amino-acridinium cations protonated on the ring N atom. A variety of inter-molecular contacts, such as ion-ion, N-H?O and O-H?O hydrogen bonds, and ?-? stacking [centroid-centroid distances = 3.4907?(9)-4.1128?(8)?Å], between cations and between anions, play important roles in the formation of the three-dimensional network.

| S-EPMC3343781 | 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 or (9-aminoAcr)[Cu(pydc)(2)]·3H(2)O, contains a Cu(pydc)(2) (pydc = pyridine-2,6-dicarboxyl-ate) anion, two protonated 9-amino-acridine (9-aminoAcr)(+) counter-ions and three uncoordinated water mol-ecules. The anion contains a six-coordinated Cu(II) atom within a distorted octa-hedral geometry. Non-covalent inter-actions i.e. N-H?O and O-H?O hydrogen bonds and inter-molecular ?-? contacts between the pyridine rings [centroid-centroid distance = 3.7773?(13)?Å] and acridine rings [centroid-centroid distance = 3.4897?(13), 3.7784?(14) and 3.8627?(15)?Å] result in the formation of a three-dimensional network.

| S-EPMC2983340 | biostudies-other

Bis(9-amino-acridinium) bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)nickelate(II) trihydrate.

Project description:The title compound, (C(13)H(11)N(2))(2)[Ni(C(7)H(3)NO(4))(2)]·3H(2)O, consists of a mononuclear anionic complex, two 9-amino-acridinium cations and three uncoordinated water mol-ecules. Two pyridine-2,6-dicarboxyl-ate (pydc) ligands are bound to the Ni(II) ion, giving an NiN(2)O(4) bonded set. The coordination geometry around the Ni(II) atom is distorted octa-hedral. There are two types of robust O-H?O hydrogen-bond synthons, namely R(6) (6)(24) and R(2) (4)(8), which link the complex anions and water mol-ecules to each other. N-H?O hydrogen bonds connect the stacks of anions and cations in the structure. Other inter-molecular inter-actions, including weak C-H?O hydrogen bonds, ?-? [shortest centroid-centroid distance = 3.336?(7)?Å] and C-O?? [O?centroid distance = 3.562?(10)?Å] inter-actions, connect the various components.

| S-EPMC2979467 | biostudies-other

Butane-1,4-diammonium bis-(pyridine-2,6-dicarboxyl-ato)cuprate(II) trihydrate.

Project description:In the title compound, (C(4)H(14)N(2))[Cu(C(7)H(3)NO(4))(2)]·3H(2)O or (bdaH(2))[Cu(pydc)(2)]·3H(2)O (where bda is butane-1,4-diamine and pydcH(2) is pyridine-2,6-dicarboxylic acid), the Cu(II) atom is coordinated by four O atoms [Cu-O = 2.0557?(16)-2.3194?(16)?Å] and two N atoms [Cu-N = 1.9185?(18) and 1.9638?(18)?Å] from two chelating rings of the pydc(2-) anions, which act as tridentate ligands. The geometry of the resulting CuN(2)O(4) coordination can be described as distorted octa-hedral. The the two pydc(2-) fragments are almost perpendicular to one another [77.51?(11)°]. To balance the charges, two centrosymmetric protonated butane-1,4-diammonium, (bdaH(2))(2+) cations are present. In the crystal structure, extensive O-H?O, N-H?O and C-H?O hydrogen bonds [D?A = 2.720?(2)-3.446?(3)?Å], ion pairing, C-O?? [O?? = 3.099?(2)?Å] and ?-? stacking inter-actions between the pydc(2-) rings [centroid-centroid distance = 3.5334?(15)?Å] contribute to the formation of a three-dimensional supra-molecular structure.

| S-EPMC2961264 | biostudies-literature

Hydroxonium creatininium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)cobaltate(II) trihydrate.

Project description:The title compound, (C(4)H(8)N(3)O)(H(3)O)[Co(C(7)H(3)NO(4))(2)]·3H(2)O, contains a protonated creatininium cation, a hydrox-onium (H(3)O)(+) cation, a [Co(pydc)(2)](2-) (pydcH(2) = pyridine-2,6-dicarboxylic acid) complex anion, and three uncoordinated water mol-ecules. The Co(II) atom is coordinated by four O and two N atoms from two pydc ligands in a distorted octa-hedral environment. The structure also contains three uncoordinated water mol-ecules. Extensive inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds, ?-? stacking inter-actions [centroid-centroid distances = 3.565?(14) and 3.425?(14)?Å] and O?? inter-actions [O?centroid distance = 3.480?(2)?Å] connect the various components in the crystal structure.

| S-EPMC2969222 | biostudies-literature

Hexaaqua-nickel(II) tetra-aqua-bis-(?-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)-?-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?? 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

Hydroxonium creatininium bis-(pyridine-2,6-dicarboxyl-ato-?O,N,O)nickel-ate(II) trihydrate.

Project description:The title compound, (C(4)H(8)N(3)O)(H(3)O)[Ni(C(7)H(3)NO(4))(2)]·3H(2)O, exhibits isotypism with its Co(II) analogue. All intramolecular distances and angles are similar for the two structures. This applies also for the intermolecular forces, consisting of O-H?O and N-H?O hydrogen bonds and ?-? interactions [with centroid-centroid distances of 3.428?(2) and 3.579?(2)?Å], that lead to a cohesion of the structure.

| S-EPMC2969276 | 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

Bis(2-amino-4-methyl-pyridinium) bis-(pyridine-2,6-dicarboxyl-ato)cuprate(II).

Project description:The asymmetric unit of the title compound, (C(6)H(9)N(2))(2)[Cu(C(7)H(3)NO(4))(2)], contains half of a [Cu(pydc)(2)](2-) (pydcH(2) is pyridine-2,6-dicarb-oxy-lic acid) anion and one protonated 2-amino-4-methyl-pyridine (2a4mpH)(+) counter-ion. The anion is a six-coordinated complex with a distorted CuN(2)O(4) octa-hedral geometry around the Cu(II) ion. N-H?O and C-H?O hydrogen bonds along with ?-? contacts between the pyridine rings of the (2a4mpH)(+) cations [centroid-centroid distance = 3.573?(2)?Å] stabilize the crystal structure.

| S-EPMC3051671 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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