Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,3-Benzothia-zolium tetra-chlorido-aurate(III) tetra-hydro-furan solvate.

ABSTRACT: In the crystal structure of the title ionic compound (C(7)H(6)NS)[AuCl(4)]·C(4)H(8)O, the [AuCl(4)](-) anion shows a typical square-planar geometry. Numerous weak C-H?Cl hydrogen bonds between [AuCl(4)](-) and the 1,3-benzothia-zolium units form layers comprised of 24-membered rings in which hydrogen-bonded tetra-hydro-furan (THF) solvent mol-ecules are accommodated. C-H?Cl inter-actions between THF and [AuCl(4)](-) from adjacent layers result in bilayers. These are further stabilized by ?-? inter-actions between the thia-zole and benzene rings [centroid-centroid distance = 3.971?(3)?Å], resulting in the formation of a three-dimensional supra-molecular assembly.

SUBMITTER: Hagos TK

PROVIDER: S-EPMC2968643 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1,3-Benzothia-zolium tetra-chlorido-aurate(III) tetra-hydro-furan solvate.

Hagos Tesfamariam K TK Nogai Stefan D SD Dobrzańska Liliana L Cronje Stephanie S Raubenheimer Helgard G HG

Acta crystallographica. Section E, Structure reports online 20090206 Pt 3

In the crystal structure of the title ionic compound (C(7)H(6)NS)[AuCl(4)]·C(4)H(8)O, the [AuCl(4)](-) anion shows a typical square-planar geometry. Numerous weak C-H⋯Cl hydrogen bonds between [AuCl(4)](-) and the 1,3-benzothia-zolium units form layers comprised of 24-membered rings in which hydrogen-bonded tetra-hydro-furan (THF) solvent mol-ecules are accommodated. C-H⋯Cl inter-actions between THF and [AuCl(4)](-) from adjacent layers result in bilayers. These are further stabilized by π-π int ...[more]

PMID: 21582047

Similar Datasets

3-Phenyl-pyridinium tetra-chlorido-aurate(III).

Project description:In the title mol-ecular salt, (C(11)H(10)N)[AuCl(4)], the Au(III) atom adopts an almost regular square-planar coordination geometry and the dihedral angle between the aromatic rings of the 3-phenyl-pyridinium cation is 23.1?(3)°. In the crystal, the ions inter-act by way of N-H?Cl and C-H?Cl hydrogen bonds.

| S-EPMC2983749 | biostudies-literature

Crystal structure of metronidazolium tetra-chlorido-aurate(III).

Project description:Metronidazole (MET) [systematic names: 1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1H-imidazole and 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol] is a medication that is used to treat infections from a variety of anaerobic organisms. As with other imidazole derivatives, metronidazole is also susceptible to protonation. However, there are few reports of the structures of metronidazolium derivatives. In the title compound, (C6H10N3O3)[AuCl4] [systematic name: 1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1H-imidazol-3-ium tetra-chlorido-aur-ate(III)], the asymmetric unit consists of a metronidazolium cation, [H(MET)](+), and a tetra-chlorido-aurate(III) anion, [AuCl4](-), in which the Au(III) ion is in a slightly distorted square-planar coordination environment. In the cation, the nitro group is essentially coplanar with the imidazole ring, as indicated by an O N-C=C torsion angle of -0.2 (4)°, while the hy-droxy-ethyl group is in a coiled conformation, with an O(H)-C-C-N torsion angle of 62.3 (3)°. In the crystal, the anion and cation are linked by an inter-molecular O-H⋯Cl hydrogen bond. In addition, the N-H group of the metronidazolium ion serves as a hydrogen-bond donor to the O atom of the hy-droxy-ethyl group of a symmetry-related mol-ecule, leading to the formation of chains along [010].

| S-EPMC4518979 | biostudies-literature

Piperazine-1,4-diium bis-[tetra-chlorido-aurate(III)] dihydrate.

Project description:In the title compound, (C(4)H(12)N(2))[AuCl(4)](2)·2H(2)O, the Au(III) atom has a square-planar geometry. The piperazinium dication lies on an inversion centre and adopts a typical chair conformation. In the crystal, a combination of N-H?O, N-H?Cl and O-H?Cl hydrogen bonds results in the formation of a three-dimensional network.

| S-EPMC2971124 | biostudies-literature

8-Iodo-quinolinium triiodide tetra-hydro-furan solvate.

Project description:The title compound, C(9)H(7)IN(+)·I(3) (-)·C(4)H(8)O, was synthesized from 8-amino-quinoline using the Sandmeyer reaction. The 8-iodo-quinolinium cation is essentially planar and the triiodide ion is almost linear. N-H?O hydrogen bonds, and inter-molecular I?I [3.7100?(5)?Å] and I?H inter-actions, between the cation, anion and solvent mol-ecules result in the formation of sheets oriented parallel to the (03) plane. Between the sheets, 8-iodo-quinolinium and triiodide ions are stacked alternately, with I?C distances in the range ?3.8-4.0?Å.

| S-EPMC2959684 | biostudies-literature

2,2'-Diamino-5,5'-dimethyl-4,4'-bi-1,3-thia-zolium tetra-chlorido-zincate(II).

Project description:In the dianion of the title compound, (C(8)H(12)N(4)S(2))[ZnCl(4)], the Zn(II) ion is in a slightly distorted tetra-hedral environment. In the cation, the mean planes of the thia-zole rings form a dihedral angle of 67.81?(6)?Å. In the crystal structure, anions and cations are linked into a three-dimensional network via inter-molecular N-H?Cl hydrogen bonds.

| S-EPMC2971375 | biostudies-literature

Triphen-yl(tetra-hydro-furan)-aluminium(III).

Project description:In the title compound, [Al(C(6)H(5))(3)(C(4)H(8)O)], the Al atom has a distorted tetra-hedral geometry. The C-Al-C angles range from 113.25?(7) to 116.27?(8)°, much larger than the O-Al-C angles, which range from 103.39?(7) to 103.90?(6)°. The tetra-hydro-furan ring adopts an envelope conformation. The crystal packing is stabilized by C-H?? inter-actions.

| S-EPMC2959725 | biostudies-literature

Crystal structure of 8-iodo-quinolinium tetra-chlorido-aurate(III).

Project description:The structure of the title salt, (C9H7IN)[AuCl4], is comprised of planar 8-iodo-quinolinium cations (r.m.s. deviation = 0.05?Å) and square-planar tetra-chlorido-aurate(III) anions. The asymmetric unit contains one 8-iodo-quinolinium cation and two halfs of [AuCl4](-) anions, in each case with the central Au(III) atom located on an inversion center. Inter-molecular halogen-halogen contacts were found between centrosymmetric pairs of I [3.6178?(4)?Å] and Cl atoms [3.1484?(11), 3.3762?(13), and 3.4935?(12)?Å]. Inter-molecular N-H?Cl and C-H?Cl hydrogen bonding is also found in the structure. These inter-actions lead to the formation of a three-dimensional network. Additionally, there is an intra-molecular N-H?I hydrogen bond between the aromatic iminium and iodine. There are no aurophilic inter-actions or short contacts between I and Au atoms, and there are no notable ?-stacking inter-actions between the aromatic cations.

| S-EPMC4719864 | biostudies-other

Tris[?-2,2'-(azinodimethylidyne)diphenolato-?O,N:N',O']diiron(III) tetra-hydro-furan tetra-solvate.

Project description:In the title binuclear iron(III) complex, [Fe(2)(C(14)H(10)N(2)O(2))(3)]·4C(4)H(8)O or [Fe(2)(salda)(3)]·4THF [H(2)salda = 2,2'-(azinidimethyl-ene)diphenolate and THF is tetra-hydro-furan], the ligand possesses a rotationally flexible single N-N bond. Three dinucleating O,N:N',O'-donor ligands provide three diazine (=N-N=) bridges between the metal ions, yielding a binuclear triple helicate structure with crystallographic C(2) symmetry, the rotation axis bis-ecting one N-N bond.

| S-EPMC2960474 | biostudies-other

Di-?-chlorido-bis-{[?-1,8-bis-(diisopropyl-phosphan-yl)-9,10-dihydro-9,10-ethano-anthracene-?P:P']-?-chlorido-?-methyl-idene-dipalladium(II)} tetra-hydro-furan penta-solvate.

Project description:The title compound, [Pd(4)(CH(2))(2)Cl(4)(C(28)H(40)P(2))(2)]·5C(4)H(8)O, possesses a tetra-nuclear palladium core with four bridging chlorido ligands and two bridging methyl-ene units, as well as two bridging anthracene-based bis-phosphine ligands. This tetra-nuclear complex can be considered as being composed of two ?-chlorido-bridged LPd(2) units. The structural motif of these LPd(2) units shows two doubly bridged palladium centers between the P atoms of the bis-phosphine ligand. One of these bridges is a ?-Cl atom, the other a ?-methyl-ene group. The coordination environment around each palladium center is essentially square planar. We ascribe the oxidation state +II to the palladium centers and do not assume Pd-Pd bonds [shortest distances 2.8110?(5) and 2.8109?(6)?Å]. Co-crystallized with the palladium complex we found five non-coordinating tetra-hydro-furan solvent mol-ecules, one of which is disordered over two positions in a 0.429?(9):0.571?(8) ratio.

| S-EPMC2984049 | biostudies-literature

2,4-Bis(diphenyl-phosphan-yl)-1,1,2,3,3,4-hexa-phenyl-1,3-diphospha-2,4-dibora-cyclo-butane tetra-hydro-furan sesqui-solvate.

Project description:In the title compound, C(60)H(50)B(2)P(4)·1.5C(4)H(8)O, the diphospha-diborane mol-ecule lies on an inversion centre, whereas the disordered tetra-hydro-furan solvent mol-ecule is in a general position with a partial occupancy of 0.75. The diphosphadiborane mol-ecule consists of an ideal planar four-membered B(2)P(2) ring with an additional phenyl and a -PPh(2) group attached to each B atom.

| S-EPMC3344071 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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