Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4,4'-Bipyridine-1,1'-diium bis-(1,3-benzo-thia-zole-2-thiol-ate).

ABSTRACT: In the title salt, C10H10N2(2+)·2C7H4NS2(-), the complete 4,4'-bipyridine-1,1'-diium dication is generated by a center of symmetry. In the crystal, N-H?N hydrogen bonds are observed between the cations and anions.

SUBMITTER: Jiang YH

PROVIDER: S-EPMC3589027 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4,4'-Bipyridine-1,1'-diium bis-(1,3-benzo-thia-zole-2-thiol-ate).

Jiang Yu-Han YH Qiu Qi-Ming QM Liu Min M Jin Qiong-Hua QH Zhang Cun-Lin CL

Acta crystallographica. Section E, Structure reports online 20121124 Pt 12

In the title salt, C10H10N2(2+)·2C7H4NS2(-), the complete 4,4'-bipyridine-1,1'-diium dication is generated by a center of symmetry. In the crystal, N-H⋯N hydrogen bonds are observed between the cations and anions. ...[more]

PMID: 23476263

Similar Datasets

Tris(2-hydroxy-ethyl)ammonium 1,3-benzo-thia-zole-2-thiol-ate.

Project description:In the title compound, C(6)H(16)NO(3) (+)·C(7)H(4)NS(2) (-), the cations and anions are connected by O-H?N and O-H?S hydrogen bonding. Weak C-H?O hydrogen bonding between adjacent cations helps to stabilize the crystal structure.

| S-EPMC2969305 | biostudies-literature

4,4'-Bipyridine-1,1'-diium 2,3,5,6-tetra-bromo-terephthalate dihydrate.

Project description:The title compound, C(10)H(10)N(2) (2+)·C(8)Br(4)O(4) (2-)·2H(2)O, consists of a tetra-bromo-terephthalate dianion, a 4,4'-bipyridinium dication and two solvent water mol-ecules. Crystallographic inversion centers are situated at the center of the aromatic ring of the dianion as well as at the midpoint of the carbon-carbon bond connecting the pyridine rings in the dication. In the crystal, inter-molecular N-H?O hydrogen-bonding inter-actions between tetra-bromo-terephthalate dianions and protonated 4,4'-bipyridinium dications result in the formation of a chain-like structure. Further O-H?O hydrogen bonds between carboxyl-ate O atoms and water mol-ecules lead to the formation of a two-dimensional network in the crystal structure.

| S-EPMC3201235 | biostudies-literature

2-(2H-1,3-Benzodioxol-5-yl)-1,3-benzo-thia-zole.

Project description:In the title compound, C(14)H(9)O(2)S, the benzothia-zole unit is oriented at a dihedral angle of 7.1 (1)° with respect to the benzodioxole unit. The dioxole ring adopts flattened envelope conformation with the methyl-ene C atom at the flap. The crystal packing is stabilized by π-π inter-actions [centroid-centroid distances = 3.705 (1) and 3.752 (1) Å], C-H⋯π inter-actions and a short S⋯S contact of 3.485 (1) Å.

| S-EPMC3343939 | biostudies-literature

Crystal structure of 4,4'-bipyridine-1,1'-diium naphthalene-2,6-di-sulfonate dihydrate.

Project description:The title hydrated mol-ecular organic salt, C10H10N2 (2+)·C10H6O6S2 (2-)·2H2O, crystallized with half a bipyridinium cation, half a naphthalene-2,6-di-sulfonate anion and a water mol-ecule in the asymmetric unit. The whole cation and anion are generated by inversion symmetry, the inversion centers being at the center of the bridging C-C bond of the cation, and at the center of the fused C-C bond of the naphthalene group of the anion. In the crystal, the anions and cations stack alternately along the a axis with π-π inter-actions [inter-centroid distance = 3.491 (1) Å]. The anions are linked via O-H⋯O(sulfonate) hydrogen bonds involving two inversion-related water mol-ecules, forming chains along [10-1]. These chains are bridged by bifurcated N-H⋯(O,O) hydrogen bonds, forming a three-dimensional framework structure. There are also C-H⋯O hydrogen bonds present, reinforcing the framework structure.

| S-EPMC4186165 | biostudies-literature

6-Bromo-2-methyl-sulfanyl-1,3-benzo-thia-zole.

Project description:The title mol-ecule, C(8)H(6)BrNS(2), is almost planar with a dihedral angle of 0.9 (1)° between the benzene and thia-zole rings. The values of the geometry-based index of aromaticity (HOMA) and the nucleus-independent chemical shift (NICS) for the two cyclic fragments of the title mol-ecule are 0.95 and -9.61, respectively, for the benzene ring, and 0.69 and -7.71, respectively, for the thia-zole ring. They show that the benzene ring exhibits substanti-ally higher cyclic π-electron delocalization than the thia-zole ring. Comparison with other similar benzothia-zole fragments reveals a similar trend.

| S-EPMC3239078 | biostudies-literature

4,4'-Diphenyl-2,2'-bi-1,3-thia-zole.

Project description:In the centrosymmetric title compound, C(18)H(12)N(2)S(24), the five- (r.m.s. deviation = 0.002?Å) and six-membered (r.m.s. deviation = 0.002?Å) rings are essentially coplanar [dihedral angle between rings = 1.9?(1)°].

| S-EPMC3007272 | biostudies-other

(2,2'-Dimethyl-4,4'-bi-1,3-thia-zole-?N,N')diiodidomercury(II).

Project description:In the title compound, [HgI(2)(C(8)H(8)N(2)S(2))], the Hg(II) atom is four-coordinated in a distorted tetra-hedral geometry by two N atoms from a 2,2'-dimethyl-4,4'-bithia-zole ligand and two I atoms. In the crystal structure, adjacent mol-ecules are connected by ?-? contacts between the thia-zole rings [centroid-centroid distance = 3.591?(3)?Å].

| S-EPMC3007489 | biostudies-literature

7-Nitro-2-phenyl-imidazo[2,1-b][1,3]benzo-thia-zole.

Project description:In the title mol-ecule, C15H9N3O2S, the central imidazo[2,1-b][1,3]benzo-thia-zole heterotricyclic unit is essentially planar (r.m.s. deviation = 0.021 Å). The terminal phenyl ring and nitro group are twisted by 9.06 (1) and 11.02 (4)°, respectively, from the mean plane of the heterotricycle. In the crystal, mol-ecules are linked by π-π stacking inter-actions into columns along [100]; the inter-planar distance between neighboring imidazo[2,1-b][1,3]benzo-thia-zole planes within the columns is 3.370 (2) Å. Furthermore, the columns interact with each other by secondary S⋯O [2.9922 (10) and 3.1988 (11) Å] inter-actions, forming a three-dimensional framework.

| S-EPMC3998307 | biostudies-literature

Dibromido(2,2'-dimethyl-4,4'-bi-1,3-thia-zole-?N,N')mercury(II).

Project description:The asymmetric unit of the title compound, [HgBr(2)(C(8)H(8)N(2)S(2))], contains two crystallographically independent mol-ecules. The Hg(II) atoms are four-coordinated in a distorted tetra-hedral geometry by two N atoms from a 2,2'-dimethyl-4,4'-bi-1,3-thia-zole ligand and two Br atoms. In the crystal structure, inter-molecular C-H?Br hydrogen bonds and ?-? contacts between the thia-zole rings [centroid-centroid distances = 3.670?(3) and 3.614?(2)?Å] stabilize the structure.

| S-EPMC3050124 | biostudies-literature

Ethyl 2-phenyl-5-trifluoro-methyl-1,3-thia-zole-4-carboxyl-ate.

Project description:In the title compound, C(13)H(10)F(3)NO(2)S, the dihedral angle between the thia-zole and phenyl rings is 5.15?(1)°. No inter-molecular hydrogen bonding is observed in the crystal structure.

| S-EPMC2959226 | 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