Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[μ-aqua-2:1'κO:O-aqua-2κO-(2-fluoro-benzoato-1κO,O')(μ(2)-2-fluoro-benzoato-2':1κO:O')bis-(μ(3)-2-fluoro-benzoato)-2':1:2κO:O,O':O';1:2:1'κF,O:O,O':O'-dilead(II)].

ABSTRACT: In the title compound, [Pb(2)(C(7)H(4)FO(2))(4)(H(2)O)(2)](n), one Pb(II) atom is coordinated by seven O atoms and one F atom from five 2-fluoro-benzoate ligands, and the other Pb(II) atom is coordinated by five O atoms from four 2-fluoro-benzoate ligands and three water mol-ecules, resulting in distorted PbO(7)F and PbO(8) polyhedra. The 2-fluoro-benzoate ligands bridge Pb atoms, giving rise to a one-dimensional chain structure extending along the [100] direction. The polymeric chains are connected via C-H⋯O hydrogen bonds and π-π inter-actions, with an inter-planar distance of 3.46 (1) Å. An intramolecular O-H⋯F interaction is also present.

SUBMITTER: Zhang BS

PROVIDER: S-EPMC2961970 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[μ-aqua-2:1'κO:O-aqua-2κO-(2-fluoro-benzoato-1κO,O')(μ(2)-2-fluoro-benzoato-2':1κO:O')bis-(μ(3)-2-fluoro-benzoato)-2':1:2κO:O,O':O';1:2:1'κF,O:O,O':O'-dilead(II)].

Zhang Bi-Song BS

Acta crystallographica. Section E, Structure reports online 20080723 Pt 8

In the title compound, [Pb(2)(C(7)H(4)FO(2))(4)(H(2)O)(2)](n), one Pb(II) atom is coordinated by seven O atoms and one F atom from five 2-fluoro-benzoate ligands, and the other Pb(II) atom is coordinated by five O atoms from four 2-fluoro-benzoate ligands and three water mol-ecules, resulting in distorted PbO(7)F and PbO(8) polyhedra. The 2-fluoro-benzoate ligands bridge Pb atoms, giving rise to a one-dimensional chain structure extending along the [100] direction. The polymeric chains are conne ...[more]

PMID: 21203040

Similar Datasets

catena-Poly[[aqua-(benzoato-κO,O')(benzoic acid-κO)calcium]-μ(3)-benzoato-κO:O,O':O'].

Project description:In title compound, [Ca(C(7)H(5)O(2))(2)(C(7)H(6)O(2))(H(2)O)](n), the eightfold-coordinated Ca(II) ion is bonded to four carboxyl-ate O atoms from two benzoate ions, an O atom from benzoic acid and a water O atom. One of the carboxyl-ate groups bridges adjacent Ca(2+) ions, forming a polymeric ribbon structure parallel to [010]. In the crystal, the benzoate anions and water mol-ecule inter-act by way of inter- and intra-molecular O-H⋯O hydrogen bonds.

| S-EPMC3089294 | biostudies-literature

catena-Poly[[(2-methyl-benzoato-κO,O')sodium]-di-μ-aqua-κO:O'].

Project description:In the title coordination polymer, [Na(C(8)H(7)O(2))(H(2)O)(2)](n), the cation is chelated by the carboxyl-ate O atoms of the anion in a bidentate mode and is surrounded by the O atoms of four water mol-ecules. The coordination of the Na(+) cation is distorted octa-hedral. The water mol-ecules bridge adjacent metal cations, forming polymeric layers parallel to (100). The structure is stabilized by an extensive network of O-H⋯O hydrogen bonds.

| S-EPMC2984086 | biostudies-literature

catena-Poly[[aqua-(2-iodo-benzoato-κO)cobalt(II)]-μ-aqua-μ-2-iodo-benzoato-κ(2)O:O'].

Project description:The asymmetric unit of the polymeric title compound, [Co(C(7)H(4)IO(2))(2)(H(2)O)(2)](n), contains one Co(II) cation, two iodo-benzoate anions and two water mol-ecules. One iodo-benzoate anion and one water mol-ecule bridge adjacent Co cations, forming a polymeric chain running along the a axis, while the other iodo-benzoate anion and water mol-ecule coordinate in a monodentate manner to the Co(II) cation, completing the slightly distorted octa-hedral geometry. In the two independent anionic ligands, the carboxyl-ate groups are twisted away from the attached benzene rings by 51.38 (18) and 39.89 (11)°, and the two benzene rings are nearly perpendicular to each other with a dihedral angle of 86.09 (10)°. Intra-molecular O-H⋯O hydrogen bonds between coordinating water mol-ecules and adjacent carboxyl-ate O atoms help to stabilize the mol-ecular structure. In the crystal, weak C-H⋯O hydrogen bonds link the polymeric chains into a three-dimentional supra-molecular network.

| S-EPMC3344342 | biostudies-literature

catena-Poly[[diaqua-cobalt(II)]-bis-(μ-4-fluoro-benzoato-κO:O')].

Project description:The hydro-thermal reaction of CoCO(3) and 4-fluoro-benzoic acid afforded the title Co(II) complex, [Co(C(7)H(4)FO(2))(2)(H(2)O)(2)](n). The Co(II) atom is located on an inversion center and is coordinated by six O atoms from two water mol-ecules and four μ(2)-carboxyl-ate groups of 4-fluoro-benzoate anions, forming a distorted CoO(6) octa-hedron, with Co-O bond lengths in the range 2.071 (2)-2.130 (2) Å. All adjacent O-Co-O angles are in the range 84.78 (6)-95.22 (6)° and opposite angles are 180.0°. Each μ-carboxyl-ate group of the 4-fluoro-benzoate anions bridges two symmetry-related Co(II) atoms. Hydrogen-bonding inter-actions of the coordinated water mol-ecules further connect the cobalt-carboxyl-ate units, forming layers perpendicular to the a axis. The cobalt-oxygen layers are encased in a sandwich-like fashion by layers of π-stacked 4-fluoro-benzoate anions. Within these layers the benzene rings of the 4-fluoro-benzoate anions are π-stacked, with centroid-centroid distances of 3.432 (4) Å.

| S-EPMC2977626 | biostudies-literature

Bis(μ-2-fluoro-benzoato-1:2κO:O')(2-fluoro-benzoato-1κO,O')(2-fluoro-benzoato-2κO)dinicotinamide-1κN,2κN-dizinc(II)-2-fluoro-benzoic acid (1/1).

Project description:The asymmetric unit of the title compound, [Zn(2)(C(7)H(4)FO(2))(4)(C(6)H(6)N(2)O)(2)]·C(7)H(5)FO(2), consists of a binuclear Zn(II) complex bridged by two carboxyl groups of 2-fluoro-benzoate (FB) anions and a 2-fluoro-benzoic acid mol-ecule. The two bridging FB anions, one chelating FB anion and one nicotinamide (NA) ligand coordinate to one Zn cation with a distorted square-pyramidal geometry, while the two bridging FB anions, one monodentate FB anion and one NA ligand coordinate to the other Zn cation with a distorted tetra-hedral geometry. Within the binuclear mol-ecule, the pyridine rings are oriented at a dihedral angle of 19.41 (14)°. In the crystal structure, the uncoordinated 2-fluorobenzoic acid mol-ecules are linked by O-H⋯O hydrogen bonding, forming centrosymmetric supra-molecular dimers. Inter-molecular N-H⋯O hydrogen bonds link the complex mol-ecules into a three-dimensional network. The π-π contacts between nearly parallel pyridine and benzene rings [dihedral angles of 19.41 (14) and 12.72 (16)°, respectively, centroid-centroid distances = 3.701 (2) and 3.857 (3) Å] may further stabilize the crystal structure. The fluorine atoms in two FB ligands are disordered over two positions, with occupancy ratios of 0.70:0.30.

| S-EPMC2971791 | biostudies-literature

catena-Poly[[[diaqua-(2-fluoro-benzoato-κO,O')strontium]-μ(3)-2-fluoro-benzoato-κO:O,O':O',F] monohydrate].

Project description:In the title compound, {[Sr(C(7)H(4)FO(2))(2)(H(2)O)(2)]·H(2)O}(n), the Sr(II) atom is coordinated by six O atoms and one F atom from four 2-fluoro-benzoate ligands and two water mol-ecules, resulting in an irregular SrFO(8) coordination environment. The μ(3)-2-fluoro-benzoate ligand bridges three symmetry-related Sr(II) atoms, giving rise to a chain structure extending along [010]. The polymeric chains are connected via O-H⋯O hydrogen bonds into a two-dimensional supra-molecular structure parallel to (100).

| S-EPMC3099901 | biostudies-literature

catena-Poly[[aqua-(3-methyl-benzoato-κO,O')lead(II)]-μ-3-methyl-benzoato-κO:O,O':O'].

Project description:The reaction of lead(II) acetate and 3-methyl-benzoic acid (MBA) in aqueous solution yielded the title polymer, [Pb(C(8)H(7)O(2))(2)(H(2)O)](n). The asymmetric unit contains two Pb(II) atoms, four MBA ligands and two water mol-ecules. Each Pb(II) cation is hepta-coordinated and chelated by four carboxyl-ate O atoms from two MBA ligands. The Pb atoms are bridged through the carboxyl-ate O atoms from another two MBA ligands, leading to a central Pb(2)O(2) core. The Pb-O bond lengths are in the range 2.325 (3)-2.757 (4) Å. The intra- and inter-dimer Pb⋯Pb distances are 4.2942 (3) and 4.2283 (3) Å, respectively, indicating little direct metal-metal inter-action. The coordinating water mol-ecules and carboxyl-ate O atoms are involved in extensive O-H⋯O hydrogen-bonding inter-actions. The complex has an extended ladder-like chain structure and the chains are assembled by hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.6246 (3) Å] into a three-dimensional supra-molecular structure.

| S-EPMC2969469 | biostudies-literature

catena-Poly[[[diaqua-bis[4-(diethyl-amino)benzoato-κO]manganese(II)]-μ-aqua] dihydrate].

Project description:In the crystal structure of the title complex, {[Mn(C(11)H(14)NO(2))(2)(H(2)O)(3)]·2H(2)O}(n), the two independent Mn(II) atoms are located on a centre of symmetry and coordinated by two 4-(diethyl-amino)benzoate (DEAB) anions and two water mol-ecules in the basal plane while another water mol-ecule bridges the Mn atoms in the apical directions, forming polymeric chains. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 11.33 (13) and 10.90 (9)° and the benzene rings are oriented at a dihedral angle of 67.88 (6)°. The uncoordinated water mol-ecules link the carboxyl-ate groups and coordinated water mol-ecules via O-H⋯O hydrogen bonding. Weak C-H⋯π inter-actions are also found in the crystal structure.

| S-EPMC2969307 | biostudies-literature

catena-Poly[[aqua-(4-ethyl-benzoic acid-κO)lanthanum(III)]-tri-μ-4-ethyl-benzoato].

Project description:The reaction of lanthanum nitrate and 4-ethyl-benzoic acid (EBAH) in aqueous solution yielded the title polymer, [La(C(9)H(9)O(2))(3)(C(9)H(10)O(2))(H(2)O)](n). The asymmetric unit contains one La(III) atom, three 4-ethyl-benzoate (EBA) ligands, one neutral EBAH ligand and one coordinated water mol-ecule. Each La(III) ion is eight-coordinated by six O atoms from six bridging-bidentate EBA ligands, one O atom from a monodentate EBAH ligand and one water O atom in a distorted bicapped trigonal-prismatic geometry. The adjacent La(III) ions are linked by the carboxyl-ate groups of EBA ligands in a bridging-bidetate coordination mode, resulting in an infinite chain structure along the c axis. O-H⋯O hydrogen-bonding inter-actions involving the water mol-ecules, carboxyl-ate groups and carboxyl H atoms are formed within the one-dimensional polymer. One of the ethyl groups is disordered over two positions with occupancies of 0.717 (7) and 0.283 (7).

| S-EPMC2979983 | biostudies-literature

catena-Poly[[tetra-kis-(μ-penta-fluoro-benzoato-κO:O')dimolybdenum(II)]-μ-4,4'-bipyridine-κN:N'].

Project description:In the title compound, [Mo(2)(C(7)F(5)O(2))(4)(C(10)H(8)N(2))](n), the mol-ecule forms a paddle-wheel-type structure. Each Mo(2) (4+) unit is equatorially coordinated by four pentafluoro-benzoate groups, while the axial positions are occupied by two 4,4'-bipyridine mol-ecules. The Mo-Mo bond length of 2.1227 (4) Å is representative of a dimolybdenum quadruple bond. An infinite linear chain parallel to [110] is formed by the Mo(2) (4+) unit coordinating axially to the two N atoms of the 4,4'-bipyridine ligand [Mo-N = 2.594 (2) Å]. The crystal packing shows mol-ecules linked together into a three-dimensional network via Mo-N coordination inter-actions and weak π-π stacking inter-actions between perfluoro-phenyl rings [centroid-centroid distance = 3.7280 (3) Å and centroid-to-plane distance = 3.6103 (12) Å between two penta-fluoro-phenyl rings].

| S-EPMC3200718 | 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