Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Eshtiagh-Hosseini H

PROVIDER: S-EPMC2983271 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Eshtiagh-Hosseini Hossein H Necas Marek M Alfi Nafiseh N Mirzaei Masoud M

Acta crystallographica. Section E, Structure reports online 20100930 Pt 10

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 ...[more]

PMID: 21587454

Similar Datasets

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 π-π stacking inter-actions [centroid-centroid distance = 3.490 (1) Å] connect the various components, forming a three-dimensional network.

| S-EPMC3051538 | biostudies-literature

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

Bis(2-amino-4-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, 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.

| S-EPMC3007013 | biostudies-literature

Bis[2-(pyrimidin-2-ylamino)pyrimidin-ium] hexa-molybdate.

Project description:The title compound, (C(8)H(8)N(5))(2)[Mo(6)O(19)], was prepared by reaction of Mo(CO)(6) and dipyrimidylamine in refluxing toluene. The hexa-nuclear polyoxomolybdate anions lie on centres of inversion. Each 2-(pyrimidin-2-ylamino)pyrimidinium cation forms an intra-molecular N-H⋯N hydrogen bond and the cations are linked through self-complementary pairs of N-H⋯N hydrogen bonds into dimers across centres of inversion. The cations and anions are inter-linked through C-H⋯O contacts.

| S-EPMC2914927 | biostudies-literature

catena-Poly[diquinolinium [[diaqua-cobaltate(II)]-?-cyclo-tetra-phosphato] hexa-hydrate].

Project description:The cyclo-tetra-phosphate anion, [P(4)O(12)](4-), forms the title complex with cobalt(II) and quinolinium, {(C(9)H(8)N)(2)[Co(P(4)O(12))(H(2)O)(2)]·6H(2)O}(n). In the complex anion, the Co(II) ion, lying on an inversion center, is surrounded by four phosphate O atoms and two water mol-ecules in a slightly distorted octa-hedral geometry. The crystal structure consists of anionic ribbons of formula {[Co(P(4)O(12))(H(2)O)(2)](2-)}(n) extending along [100]. A network of O-H?O, N-H?O and C-H?O hydrogen bonds consolidates the crystal packing.

| S-EPMC2979730 | biostudies-literature

Bis(2,4,6-triamino-1,3,5-triazin-1-ium) hexa-aqua-cobalt(II) bis-[bis-(pyridine-2,6-dicarboxyl-ato)cobaltate(II)] tetra-hydrate.

Project description:The title compound, (C(3)H(7)N(6))(2)[Co(H(2)O)(6)][Co(C(7)H(3)NO(4))(2)](2)·4H(2)O, or (tataH)(2)[Co(H(2)O)(6)][Co(pydc)(2)](2)·4H(2)O (where tata is 2,4,6-triamino-1,3,5-triazine and pydc is pyridine-2,6-dicarboxylic acid), was obtained by reaction of Co(NO(3))(2)·6H(2)O with the proton-transfer compound (tataH)(2)(pydc) in aqueous solution. The [Co(pydc)(2)](2-) anion is a six-coordinate Co(II) complex with a distorted octa-hedral coordination geometry. The structure also contains hexa-aqua-cobalt(II) cations (site symmetry ), (tataH)(+) cations and uncoordinated water mol-ecules. The two(pydc)(2-) ligands in each [Co(pydc)(2)](2-) anion are almost perpendicular to each other [dihedral angle between their mean planes = 82.3 (1)°]. There is extensive O-H⋯O, N-H⋯N, O-H⋯N and C-H⋯O hydrogen bonding in the structure, as well as π-π stacking between (pydc)(2-) ligands with an inter-planar distance of 3.484 (15) Å.

| S-EPMC2915120 | biostudies-literature

Bis(2,4,6-triamino-1,3,5-triazin-1-ium) pyrazine-2,3-dicarboxyl-ate tetra-hydrate: a synchrotron radiation study.

Project description:The title compound, 2C(3)H(7)N(6) (+)·C(6)H(2)N(2)O(4) (2-)·4H(2)O or (tataH)(2)(pzdc)·4H(2)O, was synthesised by a reaction between pyrazine-2,3-dicarboxylic acid (H(2)pzdc) as a proton donor and 2,4,6-triamino-1,3,5-triazin (tata) as a proton acceptor. In the crystal structure, an extensive series of O-H?O, O-H?N, N-H?O and N-H?N hydrogen bonds generates a three-dimensional framework with the hydrogen bonding involving most donor and acceptor centers. ?-? stacking inter-actions are also observed between adjacent triazine rings, with centroid-centroid distances of 3.4994?(8) and 3.5922?(7)?Å.

| S-EPMC2979560 | biostudies-literature

Bis(2,4,6-tri-amino-pyrimidin-1-ium) sulfate penta-hydrate.

Project description:The asymmetric unit of the title salt, 2C4H8N5 (+)·SO4 (2-)·5H2O, contains four 2,4,6-tri-amino-pyrimidinium (TAPH(+)) cations, two sulfate anions and ten lattice water mol-ecules. Each two of the four TAPH(+) cations form dimers via N-H?N hydrogen bonds between the amino groups and the unprotonated pyrimidine N atoms [graph-set motif R 2 (2)(8)]. The (TAPH(+))2 dimers, in turn, form slightly offset infinite ?-? stacks parallel to [010], with centroid-centroid distances between pyrimidine rings of 3.5128?(15) and 3.6288?(16)?Å. Other amino H atoms, as well as the pyrimidinium N-H groups, are hydrogen-bonded to sulfate and lattice water O atoms. The SO4 (2-) anions and water mol-ecules are inter-connected with each other via O-H?O hydrogen bonds. The combination of hydrogen-bonding inter-actions and ?-? stacking leads to the formation of a three-dimensional network with alternating columns of TAPH(+) cations and channels filled with sulfate anions and water mol-ecules. One of the sulfate anions shows a minor disorder by a ca 37° rotation around one of the S-O bonds [occupancy ratio of the two sets of sites 0.927?(3):0.073?(3)]. One water mol-ecule is disordered over two mutually exclusive positions with an occupancy ratio of 0.64?(7):0.36?(7).

| S-EPMC3793762 | 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

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