Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-aqua(2,2'-bipyridine-?N,N')magnesium(II) bis-(4-bromo-benzoate).

ABSTRACT: In the complex cation of the title compound, [Mg(C(10)H(8)N(2))(H(2)O)(4)](C(7)H(4)BrO(2))(2), the Mg(II) atom is coordinated by two N atoms from a 2,2'-bipyridine ligand and four water O atoms in a distorted MgN(2)O(4) octa-hedral geometry. The cation is located on a special position on a twofold rotation axis which passes through the Mg(II) atom and the centroid of the 2,2'-bipyridine ligand. The 2,2'-bipyridine ligands exhibit nearly perfect coplanarity (r.m.s. deviation = 0.0035?Å) . In the crystal, O-H?O and C-H?O, C-H?Br hydrogen bonds and ?-? stacking inter-actions [mean inter-planar distance of 3.475?(6)?Å between adjacent 2,2'-bipyridine ligands] link the cations and anions into a three-dimensional supra-molecular network. One Br atom is disordered over two sites with occupancy factors of 0.55 and 0.45.

SUBMITTER: Zhang BS

PROVIDER: S-EPMC3009127 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetra-aqua(2,2'-bipyridine-κN,N')magnesium(II) bis-(4-bromo-benzoate).

Zhang Bi-Song BS Wu Chang-Sheng CS Xu Wei W

Acta crystallographica. Section E, Structure reports online 20101023 Pt 11

In the complex cation of the title compound, [Mg(C(10)H(8)N(2))(H(2)O)(4)](C(7)H(4)BrO(2))(2), the Mg(II) atom is coordinated by two N atoms from a 2,2'-bipyridine ligand and four water O atoms in a distorted MgN(2)O(4) octa-hedral geometry. The cation is located on a special position on a twofold rotation axis which passes through the Mg(II) atom and the centroid of the 2,2'-bipyridine ligand. The 2,2'-bipyridine ligands exhibit nearly perfect coplanarity (r.m.s. deviation = 0.0035 Å) . In the ...[more]

PMID: 21588852

Similar Datasets

Tetra-aqua-(2,2'-bipyridine-?N,N')magnesium(II) bis-(4-fluoro-benzoate).

Project description:The title compound, [Mg(C(10)H(8)N(2))(H(2)O)(4)](C(7)H(4)FO(2))(2), consists of a bivalent [Mg(C(10)H(8)N(2))(H(2)O)(4)](2+) cation and two 4-fluorbenzoate anions. In the complex cation, the Mg(II) atom is coordinated by two N atoms from a 2,2'-bipyridine ligand and four water O atoms in a distorted MgN(2)O(4) octa-hedral geometry. The Mg(II) atom is located on a twofold rotation axis and thus a cation exhibits C(2) mol-ecular symmetry. The 2,2'-bipyridine ligands exhibit nearly perfect planarity (r.m.s. deviations = 0.0061?Å). In the crystal, O-H?O and C-H?O hydrogen bonds link the cations and anions into a three-dimensional supra-molecular network.

| S-EPMC3011464 | biostudies-literature

Tetra-aqua-(2,2'-bipyridine-κN,N')manganese(II) di-μ-aqua-bis-[aqua-(2,2'-bipyridine-κN,N')(5-sulfonatoisophthalato-κO)manganate(II)] tetra-hydrate.

Project description:The crystal structure of the title salt, [Mn(C(10)H(8)N(2))(H(2)O)(4)][Mn(2)(C(8)H(3)O(7)S)(2)(C(10)H(8)N(2))(2)(H(2)O)(4)]·4H(2)O, consists of mononuclear manganese(II) cations, dinuclear manganate(II) dianions and uncoordinated water mol-ecules. The dianion is located about an inversion center; the Mn(II) atom is coordinated by a 2,2'-bipyridine ligand, a sulfonatoisophthalate group, a water mol-ecule along with two bridging water mol-ecules in an octa-hedral geometry. The cation lies on a twofold rotation axis; the Mn(II) atom is coordinated by four water mol-ecules and a chelating 2,2'-bipyridine ligand in a distorted octa-hedral geometry. A partially overlapped arrangement between the bipyridine ligands and the aromatic ring of the sulfoisophthalate group of adjacent anions is observed; the distance (3.357 Å) indicates π-π stacking. Hydrogen bonds, with the water mol-ecules serving as hydrogen-bond donors, lead to a three-dimensional network architecture.

| S-EPMC2961927 | biostudies-literature

Bis(?-2,2'-disulfanediyldibenzoato)bis-[aqua-(2,2'-bipyridine)-nickel(II)].

Project description:In the centrosymmetric title complex, [Ni(2)(C(14)H(8)O(4)S(2))(2)(C(10)H(8)N(2))(2)(H(2)O)(2)], the Ni(II) atom is coordinated by two N atoms from one 2,2'-bipyridine ligand, three carboxyl-ate O atoms (one bidentate and one monodentate) from two different disulfanediyldibenzoate ligands and one O atom from a coordinated water mol-ecule in an octa-hedral coordination geometry. The disulfanediyldibenzo-ate dianion bridges two Ni(II )atoms. Adjacent mol-ecules are linked through the coordinated water mol-ecules, forming a O-H?O hydrogen-bonded chain running along the a axis.

| S-EPMC3011661 | biostudies-literature

Bis(μ-naphthalene-1,8-dicarboxyl-ato)bis-[aqua-(2,2'-bipyridine)zinc(II)] tetra-hydrate.

Project description:The title complex, [Zn(2)(C(12)H(6)O(4))(2)(C(10)H(8)N(2))(2)(H(2)O)(2)]·4H(2)O, is a binuclear complex with two independent Zn(II) ions in a slightly disorted trigonal bipyramidal environment, coordinated by one aqua ligand, two naphthalene-1,8-dicarboxyl-ate ligands and one 2,2'-bipyridine ligand. π-π Inter-actions [centroid-centroid distance of 3.8489 (5) Å] and O-H⋯O hydrogen bonds connect the mol-ecules, forming a three-dimensional structure.

| S-EPMC2959877 | biostudies-literature

Bis(?-biphenyl-2,2'-dicarboxyl-ato)bis-[aqua-(2,2'-bipyridine)cadmium(II)].

Project description:In the centrosymmetric dinuclear mol-ecule of the title compound, [Cd(2)(C(14)H(8)O(4))(2)(C(10)H(8)N(2))(2)(H(2)O)(2)], the Cd(2+) ion is coordinated by three O atoms from two different diphenyl-dicarboxyl-ate (dpa) ligands (one O,O'-bidentate and one monodentate), a chelating bipyridine ligand and a water mol-ecule, generating an extremely distorted trigonal-prismatic (or irregular) CdN(2)O(4) coordination geometry for the metal ion. The bridging ligands generate an 18-membered ring, which is stabilized by two pairs of intra-molecular O-H?O hydrogen bonds.

| S-EPMC2979598 | biostudies-literature

Tetra-aqua-(2,2'-bipyridine-?²N,N')nickel(II) sulfate.

Project description:The asymmetric unit of the title complex, [Ni(C??H?N?)(H?O)?]SO?, consists of a complex [Ni(bipy)(H?O)?]²? cation (bipy = 2,2'-bipyridine) and a non-coordinating [SO?]²? anion. The Ni(II) atom is six-coordinated in a distorted octa-hedral geometry defined by the two N atoms of the bipy ligand and four water O atoms. The crystal structure contains extensive classical O-H?O hydrogen bonds, which link the ions into a two-dimensional array in the ab plane. Layers are connected into a three-dimensional supra-molecular structure by C-H?O inter-actions.

| S-EPMC3393179 | biostudies-literature

Aqua-(2,2'-bipyridine)bis-(4-hydroxy-benzoato)zinc(II).

Project description:In the title complex, [Zn(C(7)H(5)O(3))(2)(C(10)H(8)N(2))(H(2)O)], the Zn(II) ion is coordinated by two 4-hydroxy-benzoate anions, one 2,2'-bipyridine mol-ecule and one water mol-ecule and displays a distorted octa-hedral geometry. One Zn-O bond [2.5300?(15)?Å] is much longer than the others in the mol-ecule. In the crystal structure, the face-to-face separation of 3.547?(9)?Å suggests no ?-? stacking between parallel bipyridine ring systems, and an extensive O-H?O hydrogen-bonding network between the coordinated water molecule, the phenol group and carboxylate O atoms is present.

| S-EPMC2977467 | biostudies-literature

Di-?-chlorido-bis-[aqua-(2,2'-bipyridine-?N,N')chloridocobalt(II)].

Project description:The title complex, [Co(2)Cl(4)(C(10)H(8)N(2))(2)(H(2)O)(2)], is composed of two Co(II) atoms, each hexa-coordinated by three Cl atoms, one 2,2'-bipyridine (bpy) ligand and one water mol-ecule in a distorted octa-hedral geometry. Neighboring Co(II) atoms are linked together by two Cl bridges, forming a dinuclear Co(II) complex with inversion symmetry. There are inter-molecular O-H?Cl hydrogen bonds and inter-molecular ?-? stacking inter-actions between adjacent bpy ligands [centroid-centroid distance = 3.617?(2)?Å] in the structure.

| S-EPMC2977247 | biostudies-literature

Tetra-aqua-bis(nicotinamide-?N)cobalt(II) bis-(2-fluoro-benzoate).

Project description:The title complex, [Co(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(4)FO(2))(2), contains one Co(II) atom (site symmetry ), two monodentate nicotin-amide (NA) ligands, four coordinated water mol-ecules and two 2-fluoro-benzoate (FB) anions. The four O atoms in the equatorial plane around the Co atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 29.8?(3)°, while the pyridine and benzene rings are oriented at a dihedral angle of 7.97?(12)°. In the crystal structure, mol-ecules are linked by O-H?O, N-H?O and N-H?F hydrogen bonds, forming an infinite three-dimensional network. ?-? Contacts between the pyridine and benzene rings [centroid-centroid distance = 3.673?(3)?Å] may further stabilize the crystal structure.

| S-EPMC2968619 | biostudies-literature

Tetra-aqua-bis(nicotinamide-κN)nickel(II) bis-(2-fluoro-benzoate).

Project description:The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(4)FO(2))(2), contains one-half of the complex cation with the Ni(II) atom located on an inversion center, and a 2-fluoro-benzoate (FB) counter-anion. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement with an average Ni-O bond length of 2.079 Å, and the slightly distorted octa-hedral coordination is completed by the two N atoms of the nicotinamide (NA) ligands in the axial positions. The dihedral angle between the carboxyl group and the attached benzene ring is 28.28 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 8.31 (4)°. In the crystal structure, O-H⋯O, N-H⋯O, C-H⋯O, and C-H⋯F hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the pyridine and benzene rings [centroid-centroid distance = 3.626 (1) Å] may further stabilize the crystal structure. The 2-fluoro-benzoate anion is disordered over two orientations, with an occupancy ratio of 0.85:0.15.

| S-EPMC2970982 | 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