Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[?(3)-aqua-aqua(?(3)-3,5-dinitro-benzoato-?O(1):O(3):O(5))caesium].

ABSTRACT: In the structure of the title complex, [Cs(C(7)H(3)N(2)O(6))(H(2)O)(2)](n), the Cs salt of 3,5-dinitro-benzoic acid, the metal complex centres have have irregular CsO(8) coordination, comprising two water mol-ecules (one triply bridging and the other monodentate) and four O-atom donors from two nitro groups and one bridging carboxyl-ate O-atom donor from the ligand. Intra-unit O-H?O hydrogen-bonding inter-actions involving both water mol-ecules are observed in the three-dimensional polymeric complex structure.

SUBMITTER: Smith G

PROVIDER: S-EPMC3470131 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[μ(3)-aqua-aqua(μ(3)-3,5-dinitro-benzoato-κO(1):O(3):O(5))caesium].

Smith Graham G

Acta crystallographica. Section E, Structure reports online 20120905 Pt 10

In the structure of the title complex, [Cs(C(7)H(3)N(2)O(6))(H(2)O)(2)](n), the Cs salt of 3,5-dinitro-benzoic acid, the metal complex centres have have irregular CsO(8) coordination, comprising two water mol-ecules (one triply bridging and the other monodentate) and four O-atom donors from two nitro groups and one bridging carboxyl-ate O-atom donor from the ligand. Intra-unit O-H⋯O hydrogen-bonding inter-actions involving both water mol-ecules are observed in the three-dimensional polymeric com ...[more]

PMID: 23125575

Similar Datasets

Poly[(?-3,5-dinitro-benzoato)(?-3,5-dinitro-benzoic acid)rubidium].

Project description:The asymmetric unit of the title compound, [Rb(C(7)H(3)N(2)O(6))(C(7)H(4)N(2)O(6))](n), comprises an Rb(+) cation, a 3,5-dinitro-benzoate anion and a 3,5-dinitro-benzoic acid ligand. The Rb(+) cation is nine-coordinated by O atoms from four 3,5-dinitro-benzoate anions and three neutral 3,5-dinitro-benzoic acid ligands. The metal atom is firstly linked by four bridging carboxyl groups, forming a binuclear motif, which is further linked by the nitro groups into a two-dimensional framework along the [110] direction. A short O-H?O hydrogen bond between two adjacent carboxy/carboxylate groups occurs.

| S-EPMC3212130 | biostudies-literature

Poly[μ3-aqua-aqua-μ5-(4-nitro-benzoato)-caesium].

Project description:In the structure of the title complex, [Cs(C7H4NO2)(H2O)2] n , the caesium salt of 4-nitro-benzoic acid, the irregular CsO9 coordination sphere comprises three bridging nitro O-atom donors, a bidentate carboxyl-ate O,O'-chelate inter-action, a triple-bridging water mol-ecule and a monodentate water mol-ecule. A three-dimensional framework polymer is generated, within which there are water-carboxyl-ate O-H⋯O and water-water O-H⋯O hydrogen-bonding inter-actions.

| S-EPMC3884998 | biostudies-literature

Poly[(?(6)-2-methyl-3,5-dinitro-benzoato)potassium].

Project description:In the structure of the title coordination polymer, [K(C(8)H(5)N(2)O(6))](n), each ligand bridges six K(+) cations. The carboxyl-ate group coordinates both bidentately to one K(+) ion and monodentately to two K(+) ions, while one nitro group coordinates bidentately to a fourth K(+) ion. The last two K(+) ions are coordinated by the remaining nitro group, one in a bidentate fashion, the other monodentately through one O atom. This bridging mode results in a three-dimensional network. The coordination geometry of the K(+) ion is represented by an irregular KO(9) polyhedron. Very weak C-H?O inter-actions are observed in the crystal structure.

| S-EPMC2979411 | biostudies-literature

Poly[(μ-2-hy-droxy-3,5-dinitro-benzoato)rubidium].

Project description:The asymmetric unit of the title compound, [Rb(C(7)H(3)N(2)O(7))](n), comprises an Rb(+) cation and a 3,5-dinitro-salicylate ligand. The Rb(+) cation is 10-coordinated by O atoms from eight 3,5-dinitro-salicylate anions and is linked by three μ(2)-O atoms, forming a zigzag chain along the b-axis direction, which is further linked by the phenyl groups, giving the three-dimensional framework. The crystal structure involves intra-anionic O-H⋯O hydrogen bonds and strong π-π stacking inter-actions [centroid-centroid distance = 3.6755 (7) Å].

| S-EPMC3100035 | biostudies-literature

Tetra-aqua-bis-(3,5-dinitro-benzoato-κO (1))magnesium tetra-hydrate.

Project description:In the structure of the title compound, [Mg(C7H3N2O6)2(H2O)4]·4H2O, the slightly distorted octa-hedral MgO6 coord-in-ation polyhedron comprises two trans-related carboxyl-ate O-atom donors from mononodentate 3,5-dinitro-benzoate ligands, and four water mol-ecules. The coordinating water mol-ecules and the four water mol-ecules of solvation give both intra- and inter-unit O-H⋯O hydrogen-bonding inter-actions with carboxyl-ate, water and nitro O-atom acceptors, forming a three-dimensional structure.

| S-EPMC3629491 | biostudies-literature

Poly[(?(5)-3,5-dinitro-benzoato)rubidium].

Project description:The asymmetric unit of the title compound, [Rb(C(7)H(3)N(2)O(6))](n), comprises an Rb cation and a 3,5-dinitro-benzoate anion. The Rb cation is eight-coordinated by O atoms from five 3,5-dinitro-benzoate anions. On the other hand, each 3,5-dinitro-benzoate anion links five Rb cations with the carboxyl-ate groups as ?(3)-bridging. The metal atom is firstly linked by the carboxyl-ate groups into a chain along the c-axis direction, which is further linked by bonds between the Rb and nitro O atoms, giving a three-dimensional framework.

| S-EPMC3151889 | biostudies-other

catena-Poly[(diaqua-strontium)-bis-(μ-2-methyl-3,5-dinitro-benzoato)].

Project description:The title compound, [Sr(C(8)H(5)N(2)O(6))(2)(H(2)O)(2)](n), essentially consists of a one-dimensional polymeric network with Sr(2)O(2) rings extending along the [100] direction. The range of Sr-O bond lengths is 2.4822 (13)-2.8113 (13) Å. C-H⋯O and O-H⋯O hydrogen-bonding inter-actions stabilize the mol-ecules in the form of a two-dimensional polymeric network parallel to (001). One of the nitro groups is disordered over three sets of sites with the occupancy ratio of 0.46:0.32:0.22.

| S-EPMC3200748 | biostudies-literature

Poly[(3,5-dinitro-benzoato)-?(3)-triazolato-cobalt(II)].

Project description:The title compound, [Co(C(2)H(2)N(3))(C(7)H(3)N(2)O(6))](n), was obtained by the reaction of CoCl(2), triazole and 3,5-dinitro-benzoic acid in a 1:1:1 ratio. The Co centre is in a distorted tetrahedral coordination by three N atoms of three different triazole ligands and one O atom of the 3,5-dinitrobenzoate anion.

| S-EPMC2967891 | biostudies-other

Poly[(?(5)-2-methyl-3,5-dinitro-benzoato)sodium].

Project description:In the crystal of the title coordination polymer, [Na(C(8)H(5)N(2)O(6))](n), the Na(I) ion is linked to five nearby anions. Their bonding modes are three monodentate carboxyl-ate O atoms, one O,O'-bidentate carboxyl-ate group and one O,O'-bidentate nitro group. This results in an irregular NaO(7) coordination geometry for the metal ion. This connectivity leads to a layered network propagating in (100).

| S-EPMC2979836 | biostudies-other

Bis(?-3,5-dinitro-benzoato-?O:O)bis-(?-3,5-dinitro-benzoato)-?O,O:O;?O:O,O-bis-[(3,5-dinitro-benzoato-?O,O)(1,10-phenanthroline-?N,N)dysprosium(III)].

Project description:In the binuclear title complex, [Dy(2)(C(7)H(3)N(2)O(6))(6)(C(12)H(8)N(2))(2)], the Dy(III) ions exhibit a distorted monocapped square-anti-prismatic geometry and are coordinated by seven O atoms of four 3,5-dinitrobenzoate (DNBA) anions and two N atoms of a phenanthroline ligand. The carboxylate groups of the DNBA anions exhibit three coordination modes: bidentate chelating, bidentate chelating-bridging and tridentate chelating-bridging. The center of the mol-ecule is located on a crystallographic center of inversion.

| S-EPMC3050390 | 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