Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,4'-(Ethene-1,2-diyl)dipyridinium bis-[4-(2-carboxy-benzo-yl)benzoate].

ABSTRACT: In the crystal structure of the title compound, C(12)H(12)N(2) (2+)·2C(15)H(9)O(5) (-), the cation has site symmetry with the mid-point of C=C bond located on an inversion center. The two benzene rings of the anion are oriented at a dihedral angle 85.87 (6)°. In the crystal, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the cations and anions into supra-molecular double chains, which are further connected into a three-dimensional network through inter-molecular C-H⋯O and π-π stacking between parallel pyridine rings [centroid-centroid distance = 3.4413 (12)Å] and between parallel benzene rings [centroid-centroid distance = 3.6116 (14)Å].

SUBMITTER: Li C

PROVIDER: S-EPMC2971962 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,4'-(Ethene-1,2-diyl)dipyridinium bis-[4-(2-carboxy-benzo-yl)benzoate].

Li Cai C Li Dong-Sheng DS Zhao Jun J Zheng Xue-Gang XG Ke Xi-Jun XJ

Acta crystallographica. Section E, Structure reports online 20091125 Pt 12

In the crystal structure of the title compound, C(12)H(12)N(2) (2+)·2C(15)H(9)O(5) (-), the cation has site symmetry with the mid-point of C=C bond located on an inversion center. The two benzene rings of the anion are oriented at a dihedral angle 85.87 (6)°. In the crystal, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the cations and anions into supra-molecular double chains, which are further connected into a three-dimensional network through inter-molecular C-H⋯O and π-π stacking betwe ...[more]

PMID: 21578927

Similar Datasets

4,4'-(Ethane-1,2-diyl)dipyridinium bis-(2-hy-droxy-benzoate).

Project description:In the crystal structure of the title compound, C(12)H(14)N(2) (2+)·2C(7)H(5)O(3) (-), the cations and anions are linked via N-H?O hydrogen bonds and weak inter-molecular C-H?O inter-actions also occur. ?-? stacking is observed between the nearly parallel benzene and pyridine rings [dihedral angle = 6.03?(8)°], the centroid-centroid separation being 3.7546?(16)?Å. The 4,4'-(ethane-1,2-diyl)dipyridinium cation is centrosymmetric and the mid-point of the ethyl-ene C-C bond is located on an inversion center. An intra-molecular O-H?O hydrogen bond occurs in the anion.

| S-EPMC3009235 | biostudies-literature

Tris[4,4'-(ethene-1,2-di-yl)dipyridinium] deca-vanadate dihydrate.

Project description:The asymmetric unit of the title compound, (C(12)H(12)N(2))(3)[V(10)O(28)]·2H(2)O, contains one half of a deca-vanadate anion, one and a half trans-1,2-bis-(4-pyridinio)ethene cations and one water mol-ecule. The V(10)O(28) groups are involved in a three-dimensional hydrogen-bonding network through Ow-H?O, N-H?O and C-H?O inter-actions.

| S-EPMC2983728 | biostudies-literature

Crystal structure of 4,4'-(ethene-1,2-di-yl)dipyridinium bis-(3-carb-oxy-benzene-sulfonate).

Project description:In the title mol-ecular salt, C12H12N2 (2+)·2C7H5O5S(-), the complete dication is generated by crystallographic inversion symmetry. In the anion, the sulfonic acid group is deprotonated and the dihedral angle between the planes of the carb-oxy-lic acid group and the benzene ring is 12.41?(11)°. In the crystal, the anions are linked into inversion dimers by pairs of O-H?O hydrogen bonds, which generate R 2 (2)(16) loops. The dications link the anion dimers into [10-2] chains via N-H?O hydrogen bonds.

| S-EPMC4257284 | biostudies-other

Diaqua-bis-[1,2-bis-(pyridin-4-yl)ethene]-bis-[2-(4-carboxy-phen-yl)acetato]-cobalt(II).

Project description:The asymmetric unit of the title compound, [Co(C(9)H(7)O(4))(2)(C(12)H(10)N(2))(2)(H(2)O)(2)], consists of one Co(2+) ion, one mono-deprotonated 2-(4-carboxyl-atophen-yl)acetate carboxylic acid, one 1,2-bis-(pyridin-4-yl)ethane mol-ecule and one water mol-ecule. The Co(II) atom is situated on a crystallographic center of inversion and is octa-hedrally coordinated by two O atoms from two anions, two N atoms of two 1,2-bis-(pyridin-4-yl)ethane mol-ecules and two O atoms from two water mol-ecules. A three-dimensional network is established by inter-molecular O-H?O and O-H?N hydrogen bonds.

| S-EPMC3152052 | biostudies-literature

4,4'-(Ethene-1,2-di-yl)dipyridinium 4-[2-(pyridin-4-yl)ethen-yl]pyridinium octa-cyanidomolybdate(V) tetra-hydrate.

Project description:The crystal structure of the title compound, (C12H12N2)(C12H11N2)[Mo(CN)8]·4H2O, consists of 4,4'-(ethene-1,2-di-yl)dipyridinium and 4-[2-(pyridin-4-yl)ethen-yl]pyridinium cations disordered over the same site, an [Mo(CN)8](3-) anion and four water mol-ecules of crystallization. The eight-coordinate [Mo(CN)8](3-) unit exhibits a slightly distorted square-anti-prismatic geometry. In the structure, the cations (crystallographic symmetry, 2) and anions (crystallographic symmetry, 222) are arranged alternately by N-H?O and O-H?N hydrogen bonds, forming layers parallel to the bc plane. These layers are further linked through O-H?N hydrogen bonds, generating a three-dimensional supra-molecular network.

| S-EPMC3588454 | biostudies-literature

catena-Poly[(E)-4,4'-(ethene-1,2-di-yl)dipyridinium [[bis-(thio-cyanato-?N)ferrate(II)]-di-?-thio-cyanato-?N:S;?S:N]].

Project description:In the title compound, {(C(12)H(12)N(2))[Fe(NCS)(4)]}(n), each Fe(II) cation is coordinated by four N-bonded and two S-bonded thio-cyanate anions in an octa-hedral coordination mode. The asymmetric unit consists of one Fe(II) cation, located on a center of inversion, as well as one protonated (E)-4,4'-(ethene-1,2-di-yl)dipyridinium dication and two thio-cyanate anions in general positions. The crystal structure consists of Fe-(NCS)(2)-Fe chains extending along the a axis, in which two further thio-cyanate anions are only terminally bonded via nitro-gen. Non-coordinating (E)-4,4'-(ethene-1,2-di-yl)dipyrid-inium cations are found between the chains.

| S-EPMC2983361 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)dipyridinium bis-(1,2-di-cyano-ethene-1,2-di-thiol-ato-κ(2) S,S')cuprate(II).

Project description:In the title ion-pair complex, (C12H14N2)[Cu(C4N2S2)2], the complex anion exhibits a highly twisted coordination environment around the tetra-coordinated Cu(II) atom. The dihedral angles between the 1,2-di-cyano-ethene-1,2-di-thiol-ato ligands and between the two pyridine rings in the cation are 37.49 (3) and 29.18 (10)°, respectively. Weak C-H⋯N and C-H⋯S hydrogen bonds link the cations and anions into a three-dimensional network.

| S-EPMC3684877 | biostudies-literature

(±)-Cyclo-hexane-1,2-diyl bis-(4-nitro-benzoate).

Project description:The crystal structure of the title compound, C(20)H(18)N(2)O(8), has been investigated to establish the relative stereochemistry between the ester groups. The cyclo-hexane ring adopts a chair conformation, in which the two ester groups occupy the adjacent equatorial positions in a trans relationship with each other. The mol-ecules assemble in the crystal as chains along the c axis via C-H⋯π inter-actions between the cyclo-hexane ring and a pair of nitro-phenyl rings of the neighbouring mol-ecule. Also observed are π-π stacking inter-actions between the nitro-phenyl rings of neighbouring chains, with a perpendicular distance between these rings of 3.409 Å and a slippage of 0.969 Å.

| S-EPMC2959677 | biostudies-literature

Bis{4,4'-[oxalylbis(aza-nedi-yl)]dipyridinium} octa-molybdate.

Project description:In the crystal structure of the title compound, (C(12)H(12)N(4)O(2))(2)[Mo(8)O(26)], the amino and pyridinium groups of the N(1),N(2)-di(pyridinium-4-yl)oxalamide cations are hydrogen bonded to the O atoms of the centrosymmetric isopolyoxometalate ?-[Mo(8)O(26)](4-) anions, forming a three-dimensional supra-molecular architecture.

| S-EPMC3006793 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)dipyridinium bis-(iodate).

Project description:The title salt, C(12)H(14)N(2) (2+)·2IO(3) (-), exhibits two crystallographically independent iodate anions, the I atoms of which are each in a trigonal-pyramidal environment. In the dication, the two pyridine rings adopt an anti conformation with respect to each other; the angle between these two rings is 3.84 (19)°. In the crystal structure, C-H⋯O hydrogen bonds between the cations and anions lead to the formation of layers arranged parallel to the ab plane. I⋯O halogen bonds [R(2) (2)(4) graph-set motif] range between 2.873 (2) and 3.036 (3) Å and connect neighbouring IO(3) (-) anions with each other along [100], so as to create a three-dimensional network.

| S-EPMC3151914 | 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