Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[hemi(hexane-1,6-diammonium) [[aqua-dibromido-manganese(II)]-μ-pyridine-2-carboxyl-ato]].

ABSTRACT: The asymmetric unit of the title compound, {(C(6)H(18)N(2))(0.5)[MnBr(2)(C(6)H(4)NO(2))(H(2)O)]}(n), contains the repeat unit of the complex anion and one-half of a hexane-1,6-diammonium cation that is located on a twofold rotation axis. In the anionic polymer, the Mn(2+) ions are bridged by the pyridine-carboxyl-ate (pic) anion ligand, forming a chain structure along the c axis. The Mn(2+) ion is six-coordinated in a distorted octa-hedral environment by one N atom of the pyridine ring, two O atoms of the two carboxyl-ate groups, one O atom of the water mol-ecule and two Br atoms. The compound displays inter-molecular N-H⋯O, N-H⋯Br, O-H⋯Br and O-H⋯O hydrogen bonding. There may also be inter-molecular π-π inter-actions between adjacent pyridine rings, with a centroid-centroid distance of 3.992 (4) Å.

SUBMITTER: Kim NH

PROVIDER: S-EPMC2969818 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[hemi(hexane-1,6-diammonium) [[aqua-dibromido-manganese(II)]-μ-pyridine-2-carboxyl-ato]].

Kim Nam-Ho NH Hwang In-Chul IC Ha Kwang K

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

The asymmetric unit of the title compound, {(C(6)H(18)N(2))(0.5)[MnBr(2)(C(6)H(4)NO(2))(H(2)O)]}(n), contains the repeat unit of the complex anion and one-half of a hexane-1,6-diammonium cation that is located on a twofold rotation axis. In the anionic polymer, the Mn(2+) ions are bridged by the pyridine-carboxyl-ate (pic) anion ligand, forming a chain structure along the c axis. The Mn(2+) ion is six-coordinated in a distorted octa-hedral environment by one N atom of the pyridine ring, two O at ...[more]

PMID: 21582991

Similar Datasets

Hexane-1,6-diammonium bis-(pyridine-2-carboxyl-ate).

Project description:The title compound, C(6)H(18)N(2) (2+)·2C(6)H(4)NO(2) (-), consists of a doubly protonated hexa-methyl-enediammonium dication and two pyridine-2-carboxyl-ate anions. These ions inter-act by means of inter-molecular N-H⋯O and N-H⋯N hydrogen bonds to form a two-dimensional array. The carboxyl-ate groups of the anions appear to be delocalized on the basis of the C-O bond lengths.

| S-EPMC2969728 | biostudies-literature

Cyclo-hexane-1,2-diammonium bis-(pyridine-2-carboxyl-ate).

Project description:In the dication of the title salt, C(6)H(16)N(2) (2+)·2C(6)H(4)NO(2) (-), the two ammonium groups are in the equatorial positions of the chair-shaped cyclo-hexyl ring. In the crystal, the cations and anions are linked by N-H⋯O and N-H⋯N hydrogen bonds, forming a layer network parallel to the ac plane. Weak π-π inter-actions between adjacent pyridine rings with a centroid-centroid distance of 3.589 (2) Å are also present.

| S-EPMC2970198 | biostudies-literature

Poly[[tetra-aqua-tris-(μ(3)-hexane-1,6-di-carboxyl-ato)diterbium(III)] 0.25-hydrate].

Project description:In the title terbium coordination polymer, {[Tb(2)(C(6)H(8)O(4))(3)(H(2)O)(4)]·0.25H(2)O}(n), the Tb(III) atom is nine-coordinated, forming a TbO(9) polyhedra. Furthermore, two symmetric TbO(9) polyhedra share their edges, forming Tb(2)O(16) dimers, which are linked by adipate bridges into a layered structure. Inter-molecular O-H⋯O hydrogen bonds link these layers into a three-dimensional network. One of the C atoms of the adipate ligand is disordered over two positions with site-occupancy factors of 0.622 (9) and 0.378 (9). The structure also contains a disordered mol-ecule of water of hydration, lying close to a special position, with partial occupancy.

| S-EPMC3099756 | biostudies-literature

Hexane-1,6-diammonium dinitrate.

Project description:The hexane-1,6-diammonium cation of the title compound, C(6)H(18)N(2) (2+)·2NO(3) (-), lies across a crystallographic inversion centre and shows significant deviation from planarity in the hydro-carbon chain. This is evident from the torsion angle of -64.0°(2) along the N-C-C-C bond and thse torsion angle of -67.1°(2) along the C-C-C-C bonds. An intricate three-dimensional hydrogen-bonding network exists in the crystal structure, with each H atom on the ammonium group exhibiting bifurcated inter-actions to the nitrate anion. Complex hydrogen-bonded ring and chain motifs are also evident, in particular a 26-membered ring with graph-set notation R(4) (4)(26) is observed.

| S-EPMC2977696 | biostudies-literature

Propane-1,3-diammonium bis-[aqua-chlorido(4-hydroxy-pyridine-2,6-di-carboxyl-ato-κO,N,O)mercurate(II)] tetra-hydrate.

Project description:The reaction of mercury(II) chloride dihydrate, propane-1,3-diamine and 4-hydroxy-pyridine-2,6-dicarboxylic acid in a 1:1:1 molar ratio in aqueous solution, resulted in the formation of the title compound, (C(3)H(12)N(2))[Hg(C(7)H(3)NO(5))Cl(H(2)O)](2)·4H(2)O or (pnH(2))[Hg(hypydc)Cl(H(2)O)](2)·4H(2)O (where pn is propane-1,3-diamine and hypydcH(2) is 4-hydroxy-pyridine-2,6-dicarboxylic acid). The metal atom is coordinated by one chloride group, one water mol-ecule cis to the chloride ligand and one (hypydc)(2-) ligand. The coordinated water mol-ecule is almost perpendicular to the plane of the aromatic ring of (hypydc)(2-). The geometry of the resulting HgClNO(3) coordination can be described as distorted square-pyramidal. This structure also contains propane-1,3-diammonium (site symmetry 2) as a counter-ion and four uncoordinated water mol-ecules. There is a wide range of non-covalent inter-actions consisting of hydrogen bonding [of the types O-H⋯O, N-H⋯O and C-H⋯O, with D⋯A ranging from 2.548 (5) to 3.393 (6) Å] and ion pairing.

| S-EPMC2961977 | biostudies-literature

Crystal structure of a heterometallic coordination polymer: <i>catena</i>-poly[[[tetra-aqua-cobalt(II)]-μ-pyridine-2,6-di-carboxyl-ato-calcium(II)-μ-pyridine-2,6-di-carboxyl-ato] dihydrate].

Project description:In the crystal of the title polymeric complex, {[CoCa(C7H3NO4)2(H2O)4]·2H2O} n (1), the CoII ion is N,O,O'-chelated by two pyridine-2,6-di-carboxyl-ate anions in a distorted N2O4 octa-hedral geometry, and two carboxyl-ate O atoms of pyridine-2,6-di-carboxyl-ate anions bridge tetra-aqua-calcium(II) units to form polymeric chains propagating along the b-axis direction. In the crystal, O-H⋯O and C-H⋯O hydrogen bonds, and offset π-π stacking inter-actions [inter-centroid distances = 3.551 (1) and 3.746 (1) Å] involving inversion-related pyridine rings link the polymeric chains and lattice water mol-ecules to form a supra-molecular three-dimensional framework.

| S-EPMC6002818 | biostudies-literature

catena-Poly[diammonium [diaqua-bis(pyridine-2,4-dicarboxyl-ato-?N,O)cuprate(II)] [[diaqua-copper(II)]-?-pyridine-2,4-dicarboxyl-ato-?N,O:O-[tetra-aqua-cadmium(II)]-?-pyridine-2,4-dicarboxyl-ato-?O:N,O] hexa-hydrate].

Project description:The title mixed-metal complex, {(NH(4))(2)[Cu(C(7)H(3)NO(4))(2)(H(2)O)(2)][CdCu(C(7)H(3)NO(4))(2)(H(2)O)(6)]·6H(2)O}(n), contains one octa-hedrally coordinated Cd(II) center and two octa-hedrally coordinated Cu(II) centers, each lying on an inversion center. The two Cu(II) atoms are each coordinated by two O atoms and two N atoms from two 2,4-pydc (2,4-H(2)pydc = pyridine-2,4-dicarboxylic acid) ligands in the equatorial plane and two water mol-ecules at the axial sites, thus producing two crystallographically independent [Cu(2,4-pydc)(2)(H(2)O)(2)](2-) metalloligands. One metalloligand exists as a discrete anion and the other connects the Cd(H(2)O)(4) units, forming a neutral chain. O-H?O and N-H?O hydrogen bonds connects the polymeric chains, complex anions, ammonium cations and uncoordinated water mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC2971796 | biostudies-other

Poly[hexa-aqua-(μ9-cyclo-hexane-1,2,3,4,5,6-hexa-carboxyl-ato)trimanganese(II)].

Project description:The asymmetric unit of the title compound, [Mn3(C12H6O12)(H2O)6] n , comprises one Mn(II) ion, one third of a cyclo-hexane-1,2,3,4,5,6-hexa-carboxyl-ate anion and two aqua ligands. The anion is completed by application of a -3 axis. The Mn(II) ion is six-coordinated by six O atoms from two aqua ligands and three different cyclo-hexa-carboxyl-ate anions in an octa-hedral geometry. The six carboxyl-ate groups adopt a bridging bidentate mode to ligate the Mn(II) ions. Thus, each cyclo-hexane-1,2,3,4,5,6-hexa-carboxyl-ate anion adopts a μ9-connected mode, ligating nine different Mn(II) ions and forming a three-dimensional framework. In the framework, there are strong O-H⋯O hydrogen-bonding inter-actions, which further stabilize the crystal structure.

| S-EPMC3772420 | biostudies-literature

Aqua-bis-(5-butyl-pyridine-2-carboxyl-ato)zinc monohydrate.

Project description:In the title complex, [Zn(C(10)H(12)NO(2))(2)(H(2)O)]·H(2)O, the Zn(II) ion is coordinated by two N and two O atoms from two 5-n-butyl-pyridine-2-carboxyl-ato ligands and one O atom from a water mol-ecule in a distorted square-pyramidal geometry. In the crystal, inter-molecular O-H⋯O hydrogen bonds link mol-ecules into a two-dimensional supramolecular structure parallel to (001).

| S-EPMC3151896 | biostudies-literature

catena-Poly[[[aqua-(5-carb-oxy-pyridine-3-carboxyl-ato-κN)copper(I)]-μ-4,4'-bipyridine-κN:N'] monohydrate].

Project description:In the title compound, {[Cu(C(7)H(4)NO(4))(C(10)H(8)N(2))(H(2)O)]·H(2)O}(n), the Cu(I) ion is coordinated by the N atom from a 5-carb-oxy-pyridine-3-carboxyl-ate anion, two N atoms from two 4,4'-bipyridine (4,4'-bipy) ligands and one water mol-ecule in a distorted tetra-hedral geometry. The 4,4'-bipy ligands bridge the Cu(I) ions into polymeric chains propagating in [201]. The latticeand the coordinating water mol-ecules as well as the carboxy OH function are involved in the formation of inter-molecular O-H⋯O hydrogen bonds, which consolidate the crystal packing.

| S-EPMC3274861 | 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