Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(2-amino-4-methyl-pyridinium) trans-diaqua-bis-(pyrazine-2,3-dicarboxyl-ato)cuprate(II) hexa-hydrate.

ABSTRACT: The title compound, (C(6)H(9)N(2))(2)[Cu(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·6H(2)O, consists of a mononuclear trans-[Cu(pzdc)(2)(H(2)O)(2)](2-) dianion (pzdc is pyrazine-2,3-dicarboxyl-ate) and two [ampyH](+) cations (ampy is 2-amino-4-methyl-pyridine) with six water mol-ecules of solvation. The Cu(II) atom is hexa-coordinated by two pzdc groups and two water mol-ecules. The coordinated water mol-ecules are in trans-diaxial positions and the pzdc dianion acts as a bidentate ligand through an O atom of the carboxyl-ate group and the N atom of the pyrazine ring. There are diverse hydrogen-bonding inter-actions, such as N-H?O and O-H?O contacts, which lead to the formation of a three-dimensional supra-molecular architecture.

SUBMITTER: Eshtiagh-Hosseini H

PROVIDER: S-EPMC3007013 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(2-amino-4-methyl-pyridinium) trans-diaqua-bis-(pyrazine-2,3-dicarboxyl-ato)cuprate(II) hexa-hydrate.

Eshtiagh-Hosseini Hossein H Gschwind Fabienne F Alfi Nafiseh N Mirzaei Masoud M

Acta crystallographica. Section E, Structure reports online 20100623 Pt 7

The title compound, (C(6)H(9)N(2))(2)[Cu(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·6H(2)O, consists of a mononuclear trans-[Cu(pzdc)(2)(H(2)O)(2)](2-) dianion (pzdc is pyrazine-2,3-dicarboxyl-ate) and two [ampyH](+) cations (ampy is 2-amino-4-methyl-pyridine) with six water mol-ecules of solvation. The Cu(II) atom is hexa-coordinated by two pzdc groups and two water mol-ecules. The coordinated water mol-ecules are in trans-diaxial positions and the pzdc dianion acts as a bidentate ligand through an O atom ...[more]

PMID: 21587740

Similar Datasets

Bis(2-amino-6-methyl-pyridinium) trans-diaqua-bis-(pyrazine-2,3-dicarboxyl-ato)cuprate(II) hexa-hydrate.

Project description:The title compound, (C(6)H(9)N(2))(2)[Cu(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·6H(2)O, was obtained by the reaction of CuCl(2)·2H(2)O with pyrazine-2,3-dicarb-oxy-lic acid (pyzdcH(2)) and 2-amino-6-methyl-pyridine (2a-6mpy) in aqueous solution. The Cu(II) atom is located on an inversion centre and has an overall octa-hedral coordination environment. Two N and two O atoms from (pyzdc)(2-) ligands define the equatorial plane and two water mol-ecules are in axial positions, resulting in a typical tetra-gonally Jahn-Teller-distorted environment. Extensive classical O-H?O, O-H?N and N-H?O and non-classical C-H?O hydrogen bonds, as well as ?-? stacking inter-actions between aromatic rings of the cations [centroid-centroid distance = 3.58?(9)?Å], lead to the formation of a three-dimensional supra-molecular structure.

| S-EPMC3100057 | biostudies-literature

Diacridinium trans-diaqua-bis(pyrazine-2,3-dicarboxyl-ato)cobaltate(II) hexa-hydrate.

Project description:The title compound, (C(13)H(10)N)(2)[Co(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·6H(2)O, consists of mononuclear trans-[Co(pz-2,3-dc)(2)(H(2)O)(2)](2-) complex anions, (acrH)(+) cations and uncoordinated water mol-ecules (acr is acridine and pz-2,3-dcH(2) is pyrazine-2,3-dicarboxylic acid). The Co(II) atom, which lies on a crystallographic center of symmetry, has a slightly distorted octa-hedral coordination environment, with two N and two O atoms from the (pz-2,3-dc)(2-) ligands in the equatorial plane and with two water mol-ecules in axial positions. In the crystal, the components are held together by two distinct N-H?O and C-H?O hydrogen bonds with R(2) (2)(8) graph-sets. The coordinated and uncoordinated water mol-ecules are also involved in O-H?O hydrogen bonds, which lead to the formation of layers with R(3) (3)(12) graph-set motifs. Extensive ?-? stacking inter-actions between parallel aromatic rings of the acridinium ions, with distances ranging from 3.533?(1) to 3.613?(1)?Å, occur in the structure.

| S-EPMC2980003 | biostudies-literature

Bis(2-amino-6-methyl-pyridinium) trans-diaqua-bis-(pyrazine-2,3-dicarboxyl-ato)cobaltate(II) octa-hydrate.

Project description:The title compound, (C(6)H(9)N(2))(2)[Co(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·8H(2)O, was obtained by the reaction of CoCl(2)·6H(2)O with 1,4-pyrazine-2,3-dicarb-oxy-lic acid and 2-amino-6-methyl-pyridine in aqueous solution (molar ratio 1:2:2). The Co(II) ion is situated on an inversion centre and is coordinated by two O and two N atoms of two symmetry-related 1,4-pyrazine-2,3-dicarboxyl-ate ligands and two water mol-ecules and has a disorted octa-hedral coordination environment. The asymmetric unit also contains four water mol-ecules. In the crystal, extensive inter-molecular classical N-H?O, O-H?O and O-H?N hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.490?(1)?Å] connect the various components, forming a three-dimensional network.

| S-EPMC3051538 | biostudies-literature

catena-Poly[[[diaqua-iron(II)]-?-pyrazine-2,3-dicarboxyl-ato] dihydrate].

Project description:The crystal structure of the title compound, {[Fe(C(6)H(2)N(2)O(4))(H(2)O)(2)]·2H(2)O}(n), was synthesized by a diffusion method. It has a one-dimensional polymeric chain structure and the chains are further connected into a three-dimensional structure by hydrogen bonds. The Fe(II) ion has a distorted octa-hedral coordination environment, with two N and two O atoms from the pyrazine-2,3-dicarboxyl-ate ligands in the equatorial plane and with two water mol-ecules in axial positions. The Fe atom lies on a crystallographic centre of symmetry and a twofold rotation axis passes through the pyrazine ring.

| S-EPMC2915058 | biostudies-literature

Dianilinium bis-(pyridine-2,6-dicarboxyl-ato-κ(3)O(2),N,O(6))cuprate(II) hexa-hydrate.

Project description:The asymmetric unit of the title complex, (C(6)H(8)N)(2)[Cu(C(7)H(3)NO(4))(2)]·6H(2)O, contains half a copper(II)-dipicolinate complex located on a twofold rotation axis, one protonated aniline mol-ecule and three solvent water mol-ecules. The Cu(II) atom is coordinated by four O atoms and two N atoms from two dipicolinate ligands in a distorted octa-hedral environment. In the crystal, the components are linked into a three-dimensional framework by inter-molecular O-H⋯O and N-H⋯O inter-actions.

| S-EPMC3414097 | 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

Hydroxonium hydrate tris-(2,4,6-tri-amino-1,3,5-triazin-1-ium) bis-[bis-(pyri-dine-2,6-dicarboxyl-ato)cuprate(II)] pyridine-2,6-dicarboxylic acid hexa-hydrate.

Project description:The reaction of copper(II) nitrate hexa-hydrate with pyridine-2,6-dicarboxylic acid (pydcH(2)) and 2,4,6-triamino-1,3,5-triazine (melamine) in aqueous solution in a 1:2:2 molar ratio gave the title compound, (H(5)O(2))(C(3)H(7)N(6))(3)[Cu(C(7)H(3)NO(4))(2)](2)·C(7)H(5)NO(4)·6H(2)O. The hydroxonium hydrate (H(5)O(2))(+), also known as the Zundel cation, resides on a twofold rotation axis. The O-H distance is 1.274?(14)?Å, the O?O distance is 2.518?(5)?Å, and the O-H-O angle is 162?(8)°. One of the melamine H(+) cations, the uncoordinated pydcH(2), and two water mol-ecules also reside on crystallographic twofold axes. The Cu(II) atom has a tetra-gonally distorted octa-hedral coordination environment. The structure features extensive hydrogen bonding, with 21 distinct inter-actions. There is also a centrosymmetric C=O?? inter-action with an O?centroid distance of 3.288?(3)?Å. The structure is similar to a mixed-valence manganese(II/III) structure but shows inter-esting differences in the metal-atom coordination. One of the water molecules is equally disordered with respect to a twofold axis.

| S-EPMC2968149 | biostudies-literature

Bis(2-amino-1,3-benzothia-zol-3-ium) bis-(7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato)cadmate hexa-hydrate.

Project description:In the structure of the title complex, (C(7)H(7)N(2)S)(2)[Cd(C(8)H(8)O(5))(2)]·6H(2)O, the Cd(II) atom is located on an inversion center and is O,O',O''-chelated by two symmetry-related 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ate ligands in a distorted octa-hedral geometry. The 2-amino-benzothia-zolium cation links with the Cd complex anion via N-H?O hydrogen bonding. Extensive O-H?O and N-H?O hydrogen bonds involving lattice water mol-ecules occur in the crystal structure.

| S-EPMC3379140 | biostudies-literature

Bis(2-amino-4-methyl-pyrimidin-3-ium) trans-diaqua-bis-(pyrazine-2,3-di-car-boxylato)cobaltate(II) hexa-hydrate.

Project description:In the crystal structure of the mononuclear title compound, (C(5)H(8)N(3))(2)[Co(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·6H(2)O or (ampymH)(2)[Co(pyzdc)(2)(H(2)O)(2)]·6H(2)O (ampym = 2-amino-4-methyl pyrimidine, pyzdcH(2) = pyrazine-2,3-dicarb-oxy-lic acid), the Co(II) ion is hexa-coordinated by two (pyzdc)(2-) groups in the equatorial plane and two water mol-ecules in axial positions, giving an N(2)CoO(4) bound set. The (pyzdc)(2-) anion acts as a bidentate ligand through one carboxyl-ate group O atom and pyrazine ring N atom. There are diverse N-H? O and O-H?O and O-H?N hydrogen-bonding inter-actions, which lead to the formation of a three-dimensional supra-molecular architecture. Off-set or slipped ?-? stacking inter-actions are also observed between adjacent pyrimidine rings with face-to-face distances of 3.6337?(9)?Å.

| S-EPMC2983271 | biostudies-literature

catena-Poly[[[bis-(3-amino-pyrazine-2-carboxyl-ato)triaqua-praseodymium(III)]-μ-3-amino-pyrazine-2-carboxyl-ato-[(3-amino-pyrazine-2-carboxyl-ato)diaqua-formatopraseodymium(III)]-μ-3-amino-pyrazine-2-carboxyl-ato] hexa-hydrate].

Project description:The asymmetric unit of the polymeric title compound, {[Pr(2)(C(5)H(4)N(3)O(2))(5)(CHO(2))(H(2)O)(5)]·6H(2)O}(n), has two independent Pr(III) atoms; one is coordinated by two water mol-ecules and the other by three water mol-ecules. The first is N,O-chelated by three 3-amino-pyrazine-2-carboxyl-ate ions, whereas the second is chelated by two carboxyl-ate ions; both exist in a monocapped square-anti-prismatic geometry. The polymeric chains that run along the a axis inter-act with the lattice water mol-ecules, generating a three-dimensional hydrogen-bonded network. The formate ion is disordered over two positions with respect to the non-coordinated atoms in a 1:1 ratio.

| S-EPMC3200950 | 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