Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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 ?(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 ?-? stacking inter-actions [centroid-centroid distance = 3.6755?(7)?Å].

SUBMITTER: Meng Y

PROVIDER: S-EPMC3100035 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Meng Yan Y

Acta crystallographica. Section E, Structure reports online 20110315 Pt 4

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 [c ...[more]

PMID: 21753973

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[(?(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[aqua-(?(3)-2-hy-droxy-5-nitro-benzoato-?O:O:O)rubidium].

Project description:In the structure of title compound, [Rb(C(7)H(4)NO(5))(H(2)O)](n), the centrosymmetric cyclic dimeric repeating unit comprises two irregular RbO(4) complex centres bridged by the carboxyl-ate groups of the 5-nitro-salicylate ligands. The coordination about each Rb atom is completed by a monodentate water mol-ecule and a phenolic O-atom donor which gives a bridging extension [Rb-O range = 3.116?(7)-3.135?(5)?Å]. The polymeric structure is stabilized by inter-molecular water O-H?O(carboxyl-ate) hydrogen bonds and weak inter-ring ?-? inter-actions [minimum ring centroid separation = 3.620?(4)?Å]. An intramolecular O-H?O hydrogen bond between phenol and carboxylate groups is also present.

| S-EPMC3201352 | biostudies-literature

2-Hy-droxy-anilinium 3,5-dinitro-benzoate.

Project description:In the title molecular salt, C(6)H(8)NO(+)·C(7)H(3)N(2)O(6) (-), which crystallizes in the chiral monoclinic space group P2(1), the achiral components assemble by three different N-H⋯O, one O-H⋯O and one C-H⋯O hydrogen bonds into two-stranded chains running parallel to [010]. The dihedral angles between the carboxy group and the two nitro groups and the mean plane of their attached benzene ring are 24.5 (9), 6.1 (6) and 13.0 (1)°, respectively..

| S-EPMC3344637 | biostudies-literature

Poly[μ(3)-aqua-μ(2)-2,4-dinitro-phenolato-rubidium(I)].

Project description:The asymmetric unit of the title compound, [Rb(C(6)H(3)N(2)O(5))(H(2)O)](n), comprises a rubidium cation, a 2,4-dinitro-phenoxide anion and a water mol-ecule. The Rb(+) cation is 11-coordinated by O atoms from 2,4-dinitro-phenolate anions and water mol-ecules. The metal centre is firstly coordinated by two μ(3)-H(2)O to form a one-dimensional ladder-shaped unit, [Rb(2)(μ(3)-H(2)O)(2)], which is further linked by 2,4-dinitro-phenolate to give the three-dimensional framework of the title compound. The crystal structure involves O-H⋯O hydrogen bonds.

| S-EPMC2915150 | 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

2-(2,4-Dinitro-benz-yl)pyridinium 2-hy-droxy-3,5-dinitro-benzoate.

Project description:In the structure of the title salt, C(12)H(10)N(3)O(4) (+)·C(7)H(3)N(2)O(7) (-), the cations and the anions are linked by a single N(+)-H?O(carbox-yl) hydrogen bond, the discrete cation-anion unit having no inter-molecular associations other than weak cation-anion aromatic ring ?-? inter-actions [ring centroid separation = 3.7320?(14)?Å] and a number of weak inter-unit aromatic C-H?O contacts. An intramolecular C-H?O hydrox-yl-carboxyl hydrogen bond occurs in the anion.

| S-EPMC3007337 | biostudies-literature

2-Amino-4-methylpyridinium 2-hy-droxy-3,5-dinitro-benzoate.

Project description:In the anion of the title mol-ecular salt, C(6)H(9)N(2) (+)·C(7)H(3)N(2)O(7) (-), the two nitro groups are twisted from the attached benzene ring with dihedral angles of 27.36?(10) and 4.86?(11)°. The anion is stabilized by an intra-molecular O-H?O hydrogen bond, which generates an S(6) ring motif. In the crystal, the cations and anions are linked by N-H?O and C-H?O inter-actions and are further consolidated by C-H?? inter-actions, to generate a three-dimensional network. A short O?N contact of 2.876?(2)?Å also occurs.

| S-EPMC3007456 | biostudies-literature

A two-dimensional manganese(II) complex: poly[bis-(μ(2)-4,4'-bipyrid-yl)tetra-kis-(μ(2)-3,5-dinitro-benzoato)dimanganese(II)].

Project description:The Mn atom in the title compound, [Mn(2)(C(7)H(3)N(2)O(6))(4)(C(10)H(8)N(2))(2)](n), is six-coordinated by two N atoms and four O atoms, forming a distorted octa-hedral geometry. The Mn-O bond lengths are in the range 2.1281 (13)-2.2011 (12) Å and the Mn-N bond lengths are 2.269 (2) and 2.278 (2) Å. Mn(II) atoms are double-bridged along the a axis by two pairs of bi-monodentate carboxyl groups, forming a double-stranded chain, while the bidentate 4,4'-bipyridine ligand bridges the Mn atom along the b axis. This results in a two-dimensional structure constructed of oblong grids with the sides of length 11.634 and 5.075 Å

| S-EPMC2983371 | 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